CID 55267523
3-(1,2,3-thiadiazol-4-yl)propan-1-ol
Structural Information
- Molecular Formula
- C5H8N2OS
- SMILES
- C1=C(N=NS1)CCCO
- InChI
- InChI=1S/C5H8N2OS/c8-3-1-2-5-4-9-7-6-5/h4,8H,1-3H2
- InChIKey
- ORYXZWJVYJBXRP-UHFFFAOYSA-N
- Compound name
- 3-(thiadiazol-4-yl)propan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 145.04302 | 126.6 |
[M+Na]+ | 167.02496 | 135.9 |
[M-H]- | 143.02846 | 126.7 |
[M+NH4]+ | 162.06956 | 147.3 |
[M+K]+ | 182.99890 | 133.9 |
[M+H-H2O]+ | 127.03300 | 120.4 |
[M+HCOO]- | 189.03394 | 144.3 |
[M+CH3COO]- | 203.04959 | 168.0 |
[M+Na-2H]- | 165.01041 | 130.3 |
[M]+ | 144.03519 | 128.7 |
[M]- | 144.03629 | 128.7 |
Literature stripe
No literature data available for this compound.