CID 1491

2,4-dihydroxybenzoic acid

Structural Information

Molecular Formula

C₇H₆O₄

SMILES

C1=CC(=C(C=C1O)O)C(=O)O

InChI

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

InChIKey

UIAFKZKHHVMJGS-UHFFFAOYSA-N

Compound name

2,4-dihydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 122
References: 22801
Patents: 154.02661 Da
Monoisotopic Mass: 1.6
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	126.8
[M+Na]+	177.01583	135.5
[M-H]-	153.01933	127.3
[M+NH4]+	172.06043	146.0
[M+K]+	192.98977	133.4
[M+H-H2O]+	137.02387	122.2
[M+HCOO]-	199.02481	147.6
[M+CH3COO]-	213.04046	168.1
[M+Na-2H]-	175.00128	132.0
[M]+	154.02606	125.6
[M]-	154.02716	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe