CID 1133567

180991-55-3

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 157.2
[M+Na]+ 270.11007 166.8
[M+NH4]+ 265.15467 164.2
[M+K]+ 286.08401 161.6
[M-H]- 246.11357 160.0
[M+Na-2H]- 268.09552 162.7
[M]+ 247.12030 158.9
[M]- 247.12140 158.9
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

patents stripe