| SpectraBase Spectrum ID |
J1FLdQ6cRS |
| Name |
Allylthiourea |
| CAS Registry Number |
109-57-9 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
116.040819440 u |
| Formula |
C4H8N2S |
| InChI |
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7) |
| InChIKey |
HTKFORQRBXIQHD-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
116.182 g/mol |
| Nominal Mass |
116 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
117.048 |
| SMILES |
N(CC=C)C(=S)N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
prop-2-enylthiourea |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_948.6 |
