CID 12785

Trimethylhydroquinone

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

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

InChI

InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

InChIKey

AUFZRCJENRSRLY-UHFFFAOYSA-N

Compound name

2,3,5-trimethylbenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 26
References: 8142
Patents: 152.08372 Da
Monoisotopic Mass: 1.7
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]+	153.090996	129.0
[M+Na]+	175.072938	139.3
[M-H]-	151.076444	131.4
[M+NH4]+	170.117543	150.1
[M+K]+	191.046878	136.8
[M+H-H2O]+	135.080980	124.8
[M+HCOO]-	197.081921	151.0
[M+CH3COO]-	211.097571	174.8
[M+Na-2H]-	173.058386	133.6
[M]+	152.08317142	129.7
[M]-	152.08426858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe