CID 11492332

3-(3-amino-2-hydroxyphenyl)benzoic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N)O
InChI
InChI=1S/C13H11NO3/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7,15H,14H2,(H,16,17)
InChIKey
ZXLYSSHNDUXXIN-UHFFFAOYSA-N
Compound name
3-(3-amino-2-hydroxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 149.0
[M+Na]+ 252.063118 156.9
[M-H]- 228.066624 153.4
[M+NH4]+ 247.107723 165.1
[M+K]+ 268.037058 152.8
[M+H-H2O]+ 212.071160 142.3
[M+HCOO]- 274.072101 170.9
[M+CH3COO]- 288.087751 188.3
[M+Na-2H]- 250.048566 152.6
[M]+ 229.07335142 146.5
[M]- 229.07444858 146.5
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