CID 1133567

3-cyclohexaneamidobenzoic acid

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H17NO3/c16-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(17)18/h4,7-10H,1-3,5-6H2,(H,15,16)(H,17,18)
InChIKey
UKYBHQDUVKBFFX-UHFFFAOYSA-N
Compound name
3-(cyclohexanecarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.9
[M+Na]+ 270.11007 158.9
[M-H]- 246.11357 160.1
[M+NH4]+ 265.15467 171.3
[M+K]+ 286.08401 156.2
[M+H-H2O]+ 230.11811 148.5
[M+HCOO]- 292.11905 174.5
[M+CH3COO]- 306.13470 192.3
[M+Na-2H]- 268.09552 157.8
[M]+ 247.12030 150.0
[M]- 247.12140 150.0
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