CID 11958

2-methoxy-5-methyl-1,4-benzoquinone

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=CC(=O)C(=CC1=O)OC
InChI
InChI=1S/C8H8O3/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3
InChIKey
VJVOAGLABGZRSL-UHFFFAOYSA-N
Compound name
2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

84
Patents

152.04735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 127.9
[M+Na]+ 175.03657 141.1
[M+NH4]+ 170.08117 136.1
[M+K]+ 191.01051 135.4
[M-H]- 151.04007 129.4
[M+Na-2H]- 173.02202 133.9
[M]+ 152.04680 130.1
[M]- 152.04790 130.1
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