CID 18547
N-piperonylalanine
Structural Information
- Molecular Formula
- C11H13NO4
- SMILES
- CC(C(=O)O)NCC1=CC2=C(C=C1)OCO2
- InChI
- InChI=1S/C11H13NO4/c1-7(11(13)14)12-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7,12H,5-6H2,1H3,(H,13,14)
- InChIKey
- LMYHQSMZZIZIOM-UHFFFAOYSA-N
- Compound name
- 2-(1,3-benzodioxol-5-ylmethylamino)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.09174 | 148.3 |
[M+Na]+ | 246.07368 | 154.3 |
[M-H]- | 222.07718 | 152.5 |
[M+NH4]+ | 241.11828 | 165.4 |
[M+K]+ | 262.04762 | 154.8 |
[M+H-H2O]+ | 206.08172 | 142.7 |
[M+HCOO]- | 268.08266 | 167.9 |
[M+CH3COO]- | 282.09831 | 188.1 |
[M+Na-2H]- | 244.05913 | 153.7 |
[M]+ | 223.08391 | 149.8 |
[M]- | 223.08501 | 149.8 |
Literature stripe
No literature data available for this compound.