CID 13939
3-(2-mercaptoethyl)aminopropionamide hydrobromide
Structural Information
- Molecular Formula
- C5H12N2OS
- SMILES
- C(CNCCS)C(=O)N
- InChI
- InChI=1S/C5H12N2OS/c6-5(8)1-2-7-3-4-9/h7,9H,1-4H2,(H2,6,8)
- InChIKey
- NJEUWMNDELODJE-UHFFFAOYSA-N
- Compound name
- 3-(2-sulfanylethylamino)propanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.07431 | 130.6 |
[M+Na]+ | 171.05625 | 136.4 |
[M-H]- | 147.05975 | 130.3 |
[M+NH4]+ | 166.10085 | 151.3 |
[M+K]+ | 187.03019 | 134.8 |
[M+H-H2O]+ | 131.06429 | 124.8 |
[M+HCOO]- | 193.06523 | 149.7 |
[M+CH3COO]- | 207.08088 | 178.9 |
[M+Na-2H]- | 169.04170 | 132.9 |
[M]+ | 148.06648 | 130.8 |
[M]- | 148.06758 | 130.8 |