CID 109280

68298-49-7

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1CCC(C(=C1)OC(=O)C)C(C)C
InChI
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-9,11H,5-6H2,1-4H3
InChIKey
FJUUBJPVVOEJMG-UHFFFAOYSA-N
Compound name
(3-methyl-6-propan-2-ylcyclohexen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 145.8
[M+Na]+ 219.13555 156.5
[M+NH4]+ 214.18015 153.8
[M+K]+ 235.10949 151.1
[M-H]- 195.13905 147.2
[M+Na-2H]- 217.12100 149.8
[M]+ 196.14578 147.5
[M]- 196.14688 147.5
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.