CID 205062
1-prop-2-ynylsulfanylbutane
Structural Information
- Molecular Formula
- C7H12S
- SMILES
- CCCCSCC#C
- InChI
- InChI=1S/C7H12S/c1-3-5-7-8-6-4-2/h2H,3,5-7H2,1H3
- InChIKey
- BPAWIQMMOKUBRA-UHFFFAOYSA-N
- Compound name
- 1-prop-2-ynylsulfanylbutane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.07326 | 126.1 |
[M+Na]+ | 151.05520 | 135.9 |
[M-H]- | 127.05870 | 126.9 |
[M+NH4]+ | 146.09980 | 147.0 |
[M+K]+ | 167.02914 | 134.0 |
[M+H-H2O]+ | 111.06324 | 116.0 |
[M+HCOO]- | 173.06418 | 139.3 |
[M+CH3COO]- | 187.07983 | 181.8 |
[M+Na-2H]- | 149.04065 | 129.1 |
[M]+ | 128.06543 | 124.2 |
[M]- | 128.06653 | 124.2 |