CID 3064586
105099-07-8
Structural Information
- Molecular Formula
- C7H12N2O2S
- SMILES
- C1CC(=NC1)N[C@@H](CS)C(=O)O
- InChI
- InChI=1S/C7H12N2O2S/c10-7(11)5(4-12)9-6-2-1-3-8-6/h5,12H,1-4H2,(H,8,9)(H,10,11)/t5-/m0/s1
- InChIKey
- YXFIYUWSSPOXMN-YFKPBYRVSA-N
- Compound name
- (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-sulfanylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.06923 | 140.9 |
[M+Na]+ | 211.05117 | 147.9 |
[M+NH4]+ | 206.09577 | 147.9 |
[M+K]+ | 227.02511 | 144.3 |
[M-H]- | 187.05467 | 140.5 |
[M+Na-2H]- | 209.03662 | 143.3 |
[M]+ | 188.06140 | 141.7 |
[M]- | 188.06250 | 141.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.