CID 16226941

1-(phenylcarbamoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H16N2O3/c16-12(17)10-5-4-8-15(9-10)13(18)14-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,18)(H,16,17)
InChIKey
UKCJZGIJDOLOQJ-UHFFFAOYSA-N
Compound name
1-(phenylcarbamoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.9
[M+Na]+ 271.10531 159.4
[M-H]- 247.10881 158.9
[M+NH4]+ 266.14991 170.0
[M+K]+ 287.07925 156.8
[M+H-H2O]+ 231.11335 147.7
[M+HCOO]- 293.11429 173.5
[M+CH3COO]- 307.12994 191.3
[M+Na-2H]- 269.09076 158.5
[M]+ 248.11554 150.1
[M]- 248.11664 150.1
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