CID 11041105

Methyl 2-methyl-3-oxocyclohex-1-ene-1-carboxylate

Structural Information

Molecular Formula
C9H12O3
SMILES
CC1=C(CCCC1=O)C(=O)OC
InChI
InChI=1S/C9H12O3/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H2,1-2H3
InChIKey
REGHUENXRNRBDO-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-oxocyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.7
[M+Na]+ 191.06786 140.3
[M-H]- 167.07136 136.5
[M+NH4]+ 186.11246 153.5
[M+K]+ 207.04180 139.8
[M+H-H2O]+ 151.07590 127.6
[M+HCOO]- 213.07684 154.5
[M+CH3COO]- 227.09249 178.8
[M+Na-2H]- 189.05331 136.6
[M]+ 168.07809 132.8
[M]- 168.07919 132.8
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.