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: 385
Patents: 296.23514 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.242416	172.0
[M+Na]+	319.224358	176.3
[M-H]-	295.227864	178.0
[M+NH4]+	314.268963	184.5
[M+K]+	335.198298	175.4
[M+H-H2O]+	279.232400	166.6
[M+HCOO]-	341.233341	186.8
[M+CH3COO]-	355.248991	207.5
[M+Na-2H]-	317.209806	172.5
[M]+	296.23459142	174.9
[M]-	296.23568858	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe