CID 11137754

Methyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate

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 136.2
[M+Na]+ 205.08352 144.3
[M-H]- 181.08702 140.3
[M+NH4]+ 200.12812 156.8
[M+K]+ 221.05746 143.6
[M+H-H2O]+ 165.09156 131.3
[M+HCOO]- 227.09250 157.7
[M+CH3COO]- 241.10815 183.1
[M+Na-2H]- 203.06897 139.0
[M]+ 182.09375 137.1
[M]- 182.09485 137.1
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