CID 3019880

Alpha,alpha,4-trimethyl-3-(1-methylvinyl)-4-vinylcyclohexylmethyl acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(C)C(=O)OCC1CCC(C(C1)C(=C)C)(C)C=C
InChI
InChI=1S/C17H28O2/c1-7-17(6)9-8-14(10-15(17)12(2)3)11-19-16(18)13(4)5/h7,13-15H,1-2,8-11H2,3-6H3
InChIKey
LYEIFZKPMGPSDV-UHFFFAOYSA-N
Compound name
(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 167.4
[M+Na]+ 287.19814 176.0
[M+NH4]+ 282.24274 175.2
[M+K]+ 303.17208 168.6
[M-H]- 263.20164 167.6
[M+Na-2H]- 285.18359 170.3
[M]+ 264.20837 168.5
[M]- 264.20947 168.5
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.