CID 19

2,3-dihydroxybenzoic acid

Structural Information

Molecular Formula

C₇H₆O₄

SMILES

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

InChI

InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)

InChIKey

GLDQAMYCGOIJDV-UHFFFAOYSA-N

Compound name

2,3-dihydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 702
References: 21733
Patents: 154.02661 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]+	155.03389	128.0
[M+Na]+	177.01583	139.3
[M+NH4]+	172.06043	134.8
[M+K]+	192.98977	135.9
[M-H]-	153.01933	127.5
[M+Na-2H]-	175.00128	132.7
[M]+	154.02606	129.1
[M]-	154.02716	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe