CID 43440711

1-[(phenylcarbamoyl)methyl]piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CC(CN(C1)CC(=O)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(15-12-6-2-1-3-7-12)10-16-8-4-5-11(9-16)14(18)19/h1-3,6-7,11H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKey
JLOHZODPXPPCQS-UHFFFAOYSA-N
Compound name
1-(2-anilino-2-oxoethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 160.1
[M+Na]+ 285.12096 163.0
[M-H]- 261.12446 162.9
[M+NH4]+ 280.16556 173.5
[M+K]+ 301.09490 160.2
[M+H-H2O]+ 245.12900 151.7
[M+HCOO]- 307.12994 177.3
[M+CH3COO]- 321.14559 195.0
[M+Na-2H]- 283.10641 162.1
[M]+ 262.13119 154.7
[M]- 262.13229 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe