CID 69211

2,5-dimethylhydroquinone

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

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

InChI

InChI=1S/C8H10O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4,9-10H,1-2H3

InChIKey

GPASWZHHWPVSRG-UHFFFAOYSA-N

Compound name

2,5-dimethylbenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4247
Patents: 138.06808 Da
Monoisotopic Mass: 1.9
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]+	139.07536	125.1
[M+Na]+	161.05730	134.9
[M-H]-	137.06080	127.2
[M+NH4]+	156.10190	146.4
[M+K]+	177.03124	132.6
[M+H-H2O]+	121.06534	120.9
[M+HCOO]-	183.06628	147.5
[M+CH3COO]-	197.08193	170.5
[M+Na-2H]-	159.04275	130.9
[M]+	138.06753	125.0
[M]-	138.06863	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe