CID 12022011

477218-42-1

Structural Information

Molecular Formula
C18H32O3
SMILES
CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C2CC2
InChI
InChI=1S/C18H32O3/c1-13(15-7-6-10-17(2,3)11-15)21-18(4,5)12-20-16(19)14-8-9-14/h13-15H,6-12H2,1-5H3
InChIKey
BZLYOWSSNHNYKW-UHFFFAOYSA-N
Compound name
[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

400
Patents

296.23514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 173.8
[M+Na]+ 319.22436 183.3
[M+NH4]+ 314.26896 182.5
[M+K]+ 335.19830 178.2
[M-H]- 295.22786 182.1
[M+Na-2H]- 317.20981 180.6
[M]+ 296.23459 178.7
[M]- 296.23569 178.7
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

patents stripe