CID 6387
2-methyl-2-propanethiol
Structural Information
- Molecular Formula
- C4H10S
- SMILES
- CC(C)(C)S
- InChI
- InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
- InChIKey
- WMXCDAVJEZZYLT-UHFFFAOYSA-N
- Compound name
- 2-methylpropane-2-thiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 91.057596 | 115.3 |
[M+Na]+ | 113.03954 | 123.9 |
[M-H]- | 89.043044 | 116.6 |
[M+NH4]+ | 108.08414 | 140.0 |
[M+K]+ | 129.01348 | 123.8 |
[M+H-H2O]+ | 73.047580 | 111.8 |
[M+HCOO]- | 135.04852 | 132.8 |
[M+CH3COO]- | 149.06417 | 165.6 |
[M+Na-2H]- | 111.02499 | 120.4 |
[M]+ | 90.049771 | 117.4 |
[M]- | 90.050869 | 117.4 |