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
3
Annotation Hits

0
References

9
Patents

282.21948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22676 169.5
[M+Na]+ 305.20870 172.8
[M-H]- 281.21220 171.7
[M+NH4]+ 300.25330 187.4
[M+K]+ 321.18264 171.8
[M+H-H2O]+ 265.21674 164.7
[M+HCOO]- 327.21768 184.6
[M+CH3COO]- 341.23333 202.9
[M+Na-2H]- 303.19415 169.9
[M]+ 282.21893 170.0
[M]- 282.22003 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