CID 7419

3-aminobenzoic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC(=CC(=C1)N)C(=O)O
InChI
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
XFDUHJPVQKIXHO-UHFFFAOYSA-N
Compound name
3-aminobenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

172
References

16102
Patents

137.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.5
[M+Na]+ 160.03690 136.9
[M+NH4]+ 155.08150 133.5
[M+K]+ 176.01084 132.2
[M-H]- 136.04040 127.1
[M+Na-2H]- 158.02235 131.8
[M]+ 137.04713 127.3
[M]- 137.04823 127.3
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