CID 17972365

Dtxsid40889210

Structural Information

Molecular Formula
C17H30O3
SMILES
CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C=C
InChI
InChI=1S/C17H30O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h7,13-14H,1,8-12H2,2-6H3
InChIKey
JUZQJFIOMJOYDG-UHFFFAOYSA-N
Compound name
[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

282.21948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.226756 169.5
[M+Na]+ 305.208698 172.8
[M-H]- 281.212204 171.7
[M+NH4]+ 300.253303 187.4
[M+K]+ 321.182638 171.8
[M+H-H2O]+ 265.216740 164.7
[M+HCOO]- 327.217681 184.6
[M+CH3COO]- 341.233331 202.9
[M+Na-2H]- 303.194146 169.9
[M]+ 282.21893142 170.0
[M]- 282.22002858 170.0
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

patents stripe