CID 108410

Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1r,3s,4s)-

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=C)C1C(C(CCC1(C)C=C)COC(=O)C)(C)C
InChI
InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11-19-13(4)18)16(5,6)15(17)12(2)3/h8,14-15H,1-2,9-11H2,3-7H3
InChIKey
WVBWGEUOGUDKGD-UHFFFAOYSA-N
Compound name
(4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 159.7
[M+Na]+ 287.19814 165.8
[M-H]- 263.20164 162.9
[M+NH4]+ 282.24274 180.9
[M+K]+ 303.17208 163.6
[M+H-H2O]+ 247.20618 156.2
[M+HCOO]- 309.20712 176.4
[M+CH3COO]- 323.22277 201.8
[M+Na-2H]- 285.18359 159.5
[M]+ 264.20837 159.7
[M]- 264.20947 159.7
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.