CID 24704778

2-(((2-ethylcyclohexyl)oxy)methyl)oxirane

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCC1CCCCC1OCC2CO2

InChI

InChI=1S/C11H20O2/c1-2-9-5-3-4-6-11(9)13-8-10-7-12-10/h9-11H,2-8H2,1H3

InChIKey

HJNDMZXMHCYYHB-UHFFFAOYSA-N

Compound name

2-[(2-ethylcyclohexyl)oxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.14633 Da
Monoisotopic Mass: 2.4
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]+	185.15361	142.0
[M+Na]+	207.13555	148.5
[M-H]-	183.13905	149.4
[M+NH4]+	202.18015	155.9
[M+K]+	223.10949	148.3
[M+H-H2O]+	167.14359	135.1
[M+HCOO]-	229.14453	161.5
[M+CH3COO]-	243.16018	185.4
[M+Na-2H]-	205.12100	147.1
[M]+	184.14578	143.5
[M]-	184.14688	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe