CID 68262

2,6-dimethoxy-1,4-benzoquinone

Structural Information

Molecular Formula
C8H8O4
SMILES
COC1=CC(=O)C=C(C1=O)OC
InChI
InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKey
OLBNOBQOQZRLMP-UHFFFAOYSA-N
Compound name
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

81
References

1071
Patents

168.04225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 127.9
[M+Na]+ 191.03147 138.0
[M-H]- 167.03497 132.5
[M+NH4]+ 186.07607 149.0
[M+K]+ 207.00541 137.6
[M+H-H2O]+ 151.03951 122.8
[M+HCOO]- 213.04045 152.7
[M+CH3COO]- 227.05610 178.5
[M+Na-2H]- 189.01692 134.0
[M]+ 168.04170 131.7
[M]- 168.04280 131.7
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.