| SpectraBase Spectrum ID |
kigFAAdyVH |
| Name |
citraconic acid, 1TMS |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 202.066); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000119; Note: The molecular formula of the structure shown is C5H6O4 - which differs from the formula reported for the mass spectrum (C8H14O4Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H14O4Si |
| InChI |
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| InChIKey |
HNEGQIOMVPPMNR-NSCUHMNNSA-N |
| Molecular Weight |
130.099 g/mol |
| SMILES |
OC(\C=C\(C(=O)O)C)=O |
| SPLASH |
splash10-000i-9110000000-e2a72cdee2eb30f8828a |
| Source of Spectrum |
FM-2019-119-0 |
| Synonyms |
mesaconate, 1TMS
mesaconic acid, 1TMS
2-Methylfumarate, 1TMS
(E)-2-methyl-2-butanedionic acid, 1TMS
2-Butenedioic acid, 2-methyl-, (E)-, 1TMS
498-24-8, 1TMS
2-Methylbut-2-enedioic acid, 1TMS
2-Methylfumaric acid |
| Wiley ID |
1817813 |
