CID 19826721

2-(cyclohexylamino)benzoic acid

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(CC1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)
InChIKey
JSXMFCCPQQJLCR-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

219.12593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.1
[M+Na]+ 242.11515 152.6
[M-H]- 218.11865 153.5
[M+NH4]+ 237.15975 165.8
[M+K]+ 258.08909 149.6
[M+H-H2O]+ 202.12319 142.0
[M+HCOO]- 264.12413 168.7
[M+CH3COO]- 278.13978 187.6
[M+Na-2H]- 240.10060 152.7
[M]+ 219.12538 142.9
[M]- 219.12648 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe