CID 88693

Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=C)C1CCC(CC1)(C)OC(=O)C
InChI
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3
InChIKey
URVNHQCLMBMWIW-UHFFFAOYSA-N
Compound name
(1-methyl-4-prop-1-en-2-ylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

137
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.4
[M+Na]+ 219.135548 150.4
[M-H]- 195.139054 148.3
[M+NH4]+ 214.180153 166.7
[M+K]+ 235.109488 149.6
[M+H-H2O]+ 179.143590 140.8
[M+HCOO]- 241.144531 163.5
[M+CH3COO]- 255.160181 185.5
[M+Na-2H]- 217.120996 147.2
[M]+ 196.14578142 142.9
[M]- 196.14687858 142.9
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

patents stripe