| SpectraBase Spectrum ID |
J0F3uoPY0r0 |
| Name |
allantoic acid, 3TMS |
| Alternate Name(s) |
Allantoic acid, 3TMS
allantoate, 3TMS
Diureidoacetic acid, 3TMS
bis(carbamoylamino)acetic acid, 3TMS
A7753_SIGMA, 3TMS
CHEBI:30837, 3TMS
2,2-bis(carbamoylamino)acetic acid, 3TMS
2,2-Diureidoacetic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 392.173); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001014; Note: The molecular formula of the structure shown is C4H8N4O4 - which differs from the formula reported for the mass spectrum (C13H32N4O4Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H32N4O4Si3 |
| InChI |
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) |
| InChIKey |
NUCLJNSWZCHRKL-UHFFFAOYSA-N |
| Molecular Weight |
176.132 g/mol |
| SMILES |
OC(C(NC(=O)N)NC(=O)N)=O |
| SPLASH |
splash10-0udi-0920000000-c587a12d3a68e0a9d930 |
| Source of Spectrum |
FM-2019-1014-0 |
| Wiley ID |
1818673 |
