CID 3064588
Brn 5518922
Structural Information
- Molecular Formula
- C9H16N2O2S
- SMILES
- CC(C)([C@@H](C(=O)O)NC1=NCCC1)S
- InChI
- InChI=1S/C9H16N2O2S/c1-9(2,14)7(8(12)13)11-6-4-3-5-10-6/h7,14H,3-5H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1
- InChIKey
- RDHFLKJHPFOZNX-SSDOTTSWSA-N
- Compound name
- (2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-3-sulfanylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.10053 | 149.8 |
[M+Na]+ | 239.08247 | 156.1 |
[M+NH4]+ | 234.12707 | 156.3 |
[M+K]+ | 255.05641 | 153.3 |
[M-H]- | 215.08597 | 148.7 |
[M+Na-2H]- | 237.06792 | 151.7 |
[M]+ | 216.09270 | 150.4 |
[M]- | 216.09380 | 150.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.