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
1
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]+ 195.13796 144.9
[M+Na]+ 217.11990 150.1
[M-H]- 193.12340 147.9
[M+NH4]+ 212.16450 164.4
[M+K]+ 233.09384 148.8
[M+H-H2O]+ 177.12794 139.3
[M+HCOO]- 239.12888 164.5
[M+CH3COO]- 253.14453 184.9
[M+Na-2H]- 215.10535 146.4
[M]+ 194.13013 143.5
[M]- 194.13123 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.