CID 11492332

376592-93-7

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: 131
Patents: 229.0739 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.08118	150.0
[M+Na]+	252.06312	162.9
[M+NH4]+	247.10772	157.3
[M+K]+	268.03706	157.5
[M-H]-	228.06662	153.4
[M+Na-2H]-	250.04857	157.5
[M]+	229.07335	152.6
[M]-	229.07445	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe