CID 362493

2-[(cyclohexylcarbonyl)amino]benzoic acid

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h4-5,8-10H,1-3,6-7H2,(H,15,16)(H,17,18)

InChIKey

TVONCUQFOOJSCC-UHFFFAOYSA-N

Compound name

2-(cyclohexanecarbonylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 40
Patents: 247.12085 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe