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
3
Annotation Hits

81
References

1116
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

literature stripe

Patent stripe

patents stripe