CID 16769629

1-(4-methylbenzoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O
InChI
InChI=1S/C14H17NO3/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(9-15)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)
InChIKey
BRVBACYZMACJFP-UHFFFAOYSA-N
Compound name
1-(4-methylbenzoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.1
[M+Na]+ 270.11007 161.0
[M-H]- 246.11357 159.5
[M+NH4]+ 265.15467 170.9
[M+K]+ 286.08401 158.2
[M+H-H2O]+ 230.11811 148.5
[M+HCOO]- 292.11905 172.4
[M+CH3COO]- 306.13470 191.1
[M+Na-2H]- 268.09552 157.0
[M]+ 247.12030 151.9
[M]- 247.12140 151.9
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

No patent data available for this compound.