CID 219104
Px-12
Structural Information
- Molecular Formula
- C7H12N2S2
- SMILES
- CCC(C)SSC1=NC=CN1
- InChI
- InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
- InChIKey
- BPBPYQWMFCTCNG-UHFFFAOYSA-N
- Compound name
- 2-(butan-2-yldisulfanyl)-1H-imidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.05147 | 136.8 |
[M+Na]+ | 211.03341 | 145.4 |
[M-H]- | 187.03691 | 136.6 |
[M+NH4]+ | 206.07801 | 156.0 |
[M+K]+ | 227.00735 | 141.6 |
[M+H-H2O]+ | 171.04145 | 130.8 |
[M+HCOO]- | 233.04239 | 146.9 |
[M+CH3COO]- | 247.05804 | 177.9 |
[M+Na-2H]- | 209.01886 | 135.9 |
[M]+ | 188.04364 | 138.5 |
[M]- | 188.04474 | 138.5 |