CID 54592655

1-benzoyl-3-methylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO3/c1-14(13(17)18)8-5-9-15(10-14)12(16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
InChIKey
PFWPNYSMOFPUPV-UHFFFAOYSA-N
Compound name
1-benzoyl-3-methylpiperidine-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 157.4
[M+Na]+ 270.11007 168.3
[M+NH4]+ 265.15467 165.7
[M+K]+ 286.08401 161.3
[M-H]- 246.11357 159.2
[M+Na-2H]- 268.09552 164.5
[M]+ 247.12030 159.4
[M]- 247.12140 159.4
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.