CID 20833799
Ac-atc-cys
Structural Information
- Molecular Formula
- C9H14N2O3S2
- SMILES
- CC(=O)N[C@@H](CSC(=S)NCC=C)C(=O)O
- InChI
- InChI=1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)/t7-/m0/s1
- InChIKey
- DJFUZUUKZXAXBZ-ZETCQYMHSA-N
- Compound name
- (2R)-2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.05188 | 158.5 |
[M+Na]+ | 285.03382 | 161.3 |
[M-H]- | 261.03732 | 155.9 |
[M+NH4]+ | 280.07842 | 173.4 |
[M+K]+ | 301.00776 | 156.9 |
[M+H-H2O]+ | 245.04186 | 151.6 |
[M+HCOO]- | 307.04280 | 166.9 |
[M+CH3COO]- | 321.05845 | 195.9 |
[M+Na-2H]- | 283.01927 | 154.9 |
[M]+ | 262.04405 | 158.4 |
[M]- | 262.04515 | 158.4 |