CID 85879

2-(4-methyl-3-cyclohexen-1-yl)propenyl acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=CCC(CC1)C(=COC(=O)C)C
InChI
InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,8,12H,5-7H2,1-3H3
InChIKey
CKITWLJZALNJDV-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.9
[M+Na]+ 217.119898 150.1
[M-H]- 193.123404 147.9
[M+NH4]+ 212.164503 164.4
[M+K]+ 233.093838 148.8
[M+H-H2O]+ 177.127940 139.3
[M+HCOO]- 239.128881 164.5
[M+CH3COO]- 253.144531 184.9
[M+Na-2H]- 215.105346 146.4
[M]+ 194.13013142 143.5
[M]- 194.13122858 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.