CID 227

Anthranilic acid

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)O)N

InChI

InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey

RWZYAGGXGHYGMB-UHFFFAOYSA-N

Compound name

2-aminobenzoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1267
References: 132139
Patents: 137.04768 Da
Monoisotopic Mass: 1.2
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]+	138.05496	125.0
[M+Na]+	160.03690	132.9
[M-H]-	136.04040	127.4
[M+NH4]+	155.08150	145.5
[M+K]+	176.01084	131.0
[M+H-H2O]+	120.04494	119.7
[M+HCOO]-	182.04588	148.8
[M+CH3COO]-	196.06153	172.0
[M+Na-2H]-	158.02235	131.0
[M]+	137.04713	122.4
[M]-	137.04823	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe