CID 22156565
3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
Structural Information
- Molecular Formula
- C7H12N2O2
- SMILES
- C1CNC(=NC1)CCC(=O)O
- InChI
- InChI=1S/C7H12N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1-5H2,(H,8,9)(H,10,11)
- InChIKey
- GTUZLDBHHIBAQG-UHFFFAOYSA-N
- Compound name
- 3-(1,4,5,6-tetrahydropyrimidin-2-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.09715 | 134.3 |
[M+Na]+ | 179.07909 | 143.9 |
[M+NH4]+ | 174.12369 | 140.7 |
[M+K]+ | 195.05303 | 139.5 |
[M-H]- | 155.08259 | 133.0 |
[M+Na-2H]- | 177.06454 | 138.1 |
[M]+ | 156.08932 | 134.8 |
[M]- | 156.09042 | 134.8 |
Literature stripe
No literature data available for this compound.