CID 21191132

67856-54-6

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

4
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 146.6
[M+Na]+ 236.06820 160.2
[M+NH4]+ 231.11280 154.9
[M+K]+ 252.04214 153.7
[M-H]- 212.07170 151.0
[M+Na-2H]- 234.05365 155.4
[M]+ 213.07843 149.7
[M]- 213.07953 149.7
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

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