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

3438
Patents

164.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.