CID 204425
16277-16-0
Structural Information
- Molecular Formula
- C11H13NO4
- SMILES
- COC1=C(C=C(C=C1)C[C@@H](C(=O)O)N)C=O
- InChI
- InChI=1S/C11H13NO4/c1-16-10-3-2-7(4-8(10)6-13)5-9(12)11(14)15/h2-4,6,9H,5,12H2,1H3,(H,14,15)/t9-/m0/s1
- InChIKey
- WEIAVLFHJDIOBA-VIFPVBQESA-N
- Compound name
- (2S)-2-amino-3-(3-formyl-4-methoxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.09174 | 147.7 |
[M+Na]+ | 246.07368 | 154.6 |
[M-H]- | 222.07718 | 149.7 |
[M+NH4]+ | 241.11828 | 164.7 |
[M+K]+ | 262.04762 | 152.9 |
[M+H-H2O]+ | 206.08172 | 141.5 |
[M+HCOO]- | 268.08266 | 169.7 |
[M+CH3COO]- | 282.09831 | 189.8 |
[M+Na-2H]- | 244.05913 | 149.7 |
[M]+ | 223.08391 | 148.5 |
[M]- | 223.08501 | 148.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.