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
3
Annotation Hits

0
References

404
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 172.0
[M+Na]+ 319.22436 176.3
[M-H]- 295.22786 178.0
[M+NH4]+ 314.26896 184.5
[M+K]+ 335.19830 175.4
[M+H-H2O]+ 279.23240 166.6
[M+HCOO]- 341.23334 186.8
[M+CH3COO]- 355.24899 207.5
[M+Na-2H]- 317.20981 172.5
[M]+ 296.23459 174.9
[M]- 296.23569 174.9
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