CID 16777116

1-(3,5-dimethylbenzoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)O)C
InChI
InChI=1S/C15H19NO3/c1-10-6-11(2)8-13(7-10)14(17)16-5-3-4-12(9-16)15(18)19/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)
InChIKey
FJLNQZUVLMNZHZ-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylbenzoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.0
[M+Na]+ 284.12572 172.3
[M+NH4]+ 279.17032 167.7
[M+K]+ 300.09966 167.2
[M-H]- 260.12922 162.9
[M+Na-2H]- 282.11117 165.8
[M]+ 261.13595 162.9
[M]- 261.13705 162.9
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.