CID 52210
73688-72-9
Structural Information
- Molecular Formula
- C10H12N2S
- SMILES
- CC1=CC2=C(C=C1C)N=C(N2)CS
- InChI
- InChI=1S/C10H12N2S/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
- InChIKey
- PXPXXPJORACKKN-UHFFFAOYSA-N
- Compound name
- (5,6-dimethyl-1H-benzimidazol-2-yl)methanethiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.07939 | 138.7 |
[M+Na]+ | 215.06133 | 151.3 |
[M-H]- | 191.06483 | 140.8 |
[M+NH4]+ | 210.10593 | 159.7 |
[M+K]+ | 231.03527 | 146.5 |
[M+H-H2O]+ | 175.06937 | 133.2 |
[M+HCOO]- | 237.07031 | 156.0 |
[M+CH3COO]- | 251.08596 | 152.8 |
[M+Na-2H]- | 213.04678 | 142.1 |
[M]+ | 192.07156 | 142.9 |
[M]- | 192.07266 | 142.9 |