CID 138040187
2247088-04-4
Structural Information
- Molecular Formula
- C7H13NO4
- SMILES
- COC(=O)CC[C@H](CC(=O)O)N
- InChI
- InChI=1S/C7H13NO4/c1-12-7(11)3-2-5(8)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-/m1/s1
- InChIKey
- TYKOSXWRKVGJQW-RXMQYKEDSA-N
- Compound name
- (3R)-3-amino-6-methoxy-6-oxohexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.09174 | 138.5 |
[M+Na]+ | 198.07368 | 143.8 |
[M-H]- | 174.07718 | 136.7 |
[M+NH4]+ | 193.11828 | 157.1 |
[M+K]+ | 214.04762 | 144.1 |
[M+H-H2O]+ | 158.08172 | 133.2 |
[M+HCOO]- | 220.08266 | 159.2 |
[M+CH3COO]- | 234.09831 | 180.0 |
[M+Na-2H]- | 196.05913 | 139.8 |
[M]+ | 175.08391 | 138.7 |
[M]- | 175.08501 | 138.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.