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 160.1
[M+Na]+ 284.12572 165.5
[M-H]- 260.12922 163.7
[M+NH4]+ 279.17032 174.7
[M+K]+ 300.09966 162.6
[M+H-H2O]+ 244.13376 152.6
[M+HCOO]- 306.13470 176.1
[M+CH3COO]- 320.15035 195.3
[M+Na-2H]- 282.11117 159.9
[M]+ 261.13595 156.7
[M]- 261.13705 156.7
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

No patent data available for this compound.