CID 527307

2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-yl acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)OC(=O)C
InChI
InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11-15(17)12(2)3)16(5,6)19-13(4)18/h8,14-15H,1-2,9-11H2,3-7H3
InChIKey
WIOCBQJVVCZHFB-UHFFFAOYSA-N
Compound name
2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

264.20892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 162.5
[M+Na]+ 287.198138 167.2
[M-H]- 263.201644 165.2
[M+NH4]+ 282.242743 181.5
[M+K]+ 303.172078 165.1
[M+H-H2O]+ 247.206180 158.4
[M+HCOO]- 309.207121 177.6
[M+CH3COO]- 323.222771 201.2
[M+Na-2H]- 285.183586 162.4
[M]+ 264.20837142 161.3
[M]- 264.20946858 161.3
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