CID 12310244

Chebi:201817

Structural Information

Molecular Formula
C10H14O4
SMILES
CC1C(C(=O)C(=C(C1=O)OC)OC)C
InChI
InChI=1S/C10H14O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h5-6H,1-4H3
InChIKey
OTGRRZBXIQUVOS-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 136.9
[M+Na]+ 221.078418 146.9
[M-H]- 197.081924 141.6
[M+NH4]+ 216.123023 157.4
[M+K]+ 237.052358 146.4
[M+H-H2O]+ 181.086460 132.1
[M+HCOO]- 243.087401 159.6
[M+CH3COO]- 257.103051 187.5
[M+Na-2H]- 219.063866 139.7
[M]+ 198.08865142 140.9
[M]- 198.08974858 140.9
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.