CID 12499358
1-(cyanosulfanyl)propan-2-one
Structural Information
- Molecular Formula
- C4H5NOS
- SMILES
- CC(=O)CSC#N
- InChI
- InChI=1S/C4H5NOS/c1-4(6)2-7-3-5/h2H2,1H3
- InChIKey
- HBEQAYDPEJTYND-UHFFFAOYSA-N
- Compound name
- 2-oxopropyl thiocyanate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 116.01646 | 122.3 |
[M+Na]+ | 137.99840 | 132.4 |
[M-H]- | 114.00191 | 124.4 |
[M+NH4]+ | 133.04301 | 143.5 |
[M+K]+ | 153.97234 | 132.2 |
[M+H-H2O]+ | 98.006446 | 111.6 |
[M+HCOO]- | 160.00739 | 137.7 |
[M+CH3COO]- | 174.02304 | 181.8 |
[M+Na-2H]- | 135.98385 | 125.9 |
[M]+ | 115.00864 | 120.1 |
[M]- | 115.00973 | 120.1 |