CID 11137754

Methyl 2,6-dimethyl-4-oxocyclohex-2-enecarboxylate

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1CC(=O)C=C(C1C(=O)OC)C
InChI
InChI=1S/C10H14O3/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4,7,9H,5H2,1-3H3
InChIKey
PFJHRKIZEPYPOQ-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 138.6
[M+Na]+ 205.08352 150.1
[M+NH4]+ 200.12812 146.2
[M+K]+ 221.05746 145.0
[M-H]- 181.08702 139.6
[M+Na-2H]- 203.06897 142.8
[M]+ 182.09375 140.3
[M]- 182.09485 140.3
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

patents stripe