CID 95454
2-propanol, 1,1'-thiobis-
Structural Information
- Molecular Formula
- C6H14O2S
- SMILES
- CC(CSCC(C)O)O
- InChI
- InChI=1S/C6H14O2S/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
- InChIKey
- WGLYLHNRGWWZMW-UHFFFAOYSA-N
- Compound name
- 1-(2-hydroxypropylsulfanyl)propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 151.07874 | 133.0 |
[M+Na]+ | 173.06068 | 138.7 |
[M-H]- | 149.06418 | 130.6 |
[M+NH4]+ | 168.10528 | 153.3 |
[M+K]+ | 189.03462 | 137.3 |
[M+H-H2O]+ | 133.06872 | 128.5 |
[M+HCOO]- | 195.06966 | 146.6 |
[M+CH3COO]- | 209.08531 | 171.4 |
[M+Na-2H]- | 171.04613 | 133.1 |
[M]+ | 150.07091 | 134.1 |
[M]- | 150.07201 | 134.1 |