CID 188287

Gentisyl alcohol

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

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

InChI

InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2

InChIKey

PUZSUVGRVHEUQO-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 448
Patents: 140.04735 Da
Monoisotopic Mass: 0.7
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]+	141.05463	125.3
[M+Na]+	163.03657	137.4
[M+NH4]+	158.08117	133.1
[M+K]+	179.01051	132.7
[M-H]-	139.04007	125.8
[M+Na-2H]-	161.02202	131.0
[M]+	140.04680	127.0
[M]-	140.04790	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe