CID 3019437

Ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate

Structural Information

Molecular Formula
C15H24O3
SMILES
CCCC1CC(=CCC1(C(=O)C)C(=O)OCC)C
InChI
InChI=1S/C15H24O3/c1-5-7-13-10-11(3)8-9-15(13,12(4)16)14(17)18-6-2/h8,13H,5-7,9-10H2,1-4H3
InChIKey
QYIMRQXWCAWAMM-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 158.9
[M+Na]+ 275.161768 164.6
[M-H]- 251.165274 162.0
[M+NH4]+ 270.206373 178.3
[M+K]+ 291.135708 163.4
[M+H-H2O]+ 235.169810 153.9
[M+HCOO]- 297.170751 177.7
[M+CH3COO]- 311.186401 197.4
[M+Na-2H]- 273.147216 159.7
[M]+ 252.17200142 160.9
[M]- 252.17309858 160.9
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.