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]+ 199.09648 136.9
[M+Na]+ 221.07842 146.9
[M-H]- 197.08192 141.6
[M+NH4]+ 216.12302 157.4
[M+K]+ 237.05236 146.4
[M+H-H2O]+ 181.08646 132.1
[M+HCOO]- 243.08740 159.6
[M+CH3COO]- 257.10305 187.5
[M+Na-2H]- 219.06387 139.7
[M]+ 198.08865 140.9
[M]- 198.08975 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.