CID 69212

2-hydroxy-5-methylquinone

Structural Information

Molecular Formula

C₇H₆O₃

SMILES

CC1=CC(=O)C(=O)C=C1O

InChI

InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,8H,1H3

InChIKey

VARNMYNPBOOFAZ-UHFFFAOYSA-N

Compound name

4-hydroxy-5-methylcyclohexa-3,5-diene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 24
Patents: 138.0317 Da
Monoisotopic Mass: -0.4
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]+	139.03898	124.1
[M+Na]+	161.02092	136.8
[M+NH4]+	156.06552	132.0
[M+K]+	176.99486	131.7
[M-H]-	137.02442	125.0
[M+Na-2H]-	159.00637	129.7
[M]+	138.03115	126.0
[M]-	138.03225	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe