CID 21191132

2-(3-aminophenyl)benzoic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)N)C(=O)O
InChI
InChI=1S/C13H11NO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey
UJLZGGUKWSTQJC-UHFFFAOYSA-N
Compound name
2-(3-aminophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.5
[M+Na]+ 236.06820 153.1
[M-H]- 212.07170 151.0
[M+NH4]+ 231.11280 162.9
[M+K]+ 252.04214 149.2
[M+H-H2O]+ 196.07624 138.7
[M+HCOO]- 258.07718 168.8
[M+CH3COO]- 272.09283 187.2
[M+Na-2H]- 234.05365 150.4
[M]+ 213.07843 143.1
[M]- 213.07953 143.1
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