CID 851810
4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid
Structural Information
- Molecular Formula
- C14H18N2O3
- SMILES
- C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)O
- InChI
- InChI=1S/C14H18N2O3/c17-13(6-7-14(18)19)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)
- InChIKey
- LAXKHGHYLUXJEY-UHFFFAOYSA-N
- Compound name
- 4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.13902 | 161.0 |
[M+Na]+ | 285.12096 | 164.8 |
[M-H]- | 261.12446 | 162.4 |
[M+NH4]+ | 280.16556 | 173.4 |
[M+K]+ | 301.09490 | 161.8 |
[M+H-H2O]+ | 245.12900 | 152.0 |
[M+HCOO]- | 307.12994 | 175.9 |
[M+CH3COO]- | 321.14559 | 192.6 |
[M+Na-2H]- | 283.10641 | 162.6 |
[M]+ | 262.13119 | 156.9 |
[M]- | 262.13229 | 156.9 |
Literature stripe
No literature data available for this compound.