CID 68238

Duroquinone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=C(C(=O)C(=C(C1=O)C)C)C

InChI

InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3

InChIKey

WAMKWBHYPYBEJY-UHFFFAOYSA-N

Compound name

2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 83
References: 3500
Patents: 164.08372 Da
Monoisotopic Mass: 2.2
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]+	165.09100	128.6
[M+Na]+	187.07294	139.9
[M-H]-	163.07644	133.8
[M+NH4]+	182.11754	150.8
[M+K]+	203.04688	138.1
[M+H-H2O]+	147.08098	124.4
[M+HCOO]-	209.08192	152.4
[M+CH3COO]-	223.09757	182.9
[M+Na-2H]-	185.05839	132.4
[M]+	164.08317	131.1
[M]-	164.08427	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe