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

5
Patents

182.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 136.2
[M+Na]+ 205.083518 144.3
[M-H]- 181.087024 140.3
[M+NH4]+ 200.128123 156.8
[M+K]+ 221.057458 143.6
[M+H-H2O]+ 165.091560 131.3
[M+HCOO]- 227.092501 157.7
[M+CH3COO]- 241.108151 183.1
[M+Na-2H]- 203.068966 139.0
[M]+ 182.09375142 137.1
[M]- 182.09484858 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