CID 21867834

298695-60-0

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCCCC(CC)COCC1(COC1)CC

InChI

InChI=1S/C14H28O2/c1-4-7-8-13(5-2)9-15-10-14(6-3)11-16-12-14/h13H,4-12H2,1-3H3

InChIKey

BIDWUUDRRVHZLQ-UHFFFAOYSA-N

Compound name

3-ethyl-3-(2-ethylhexoxymethyl)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8503
Patents: 228.20892 Da
Monoisotopic Mass: 3.8
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]+	229.21620	157.5
[M+Na]+	251.19814	162.3
[M+NH4]+	246.24274	162.3
[M+K]+	267.17208	156.4
[M-H]-	227.20164	156.7
[M+Na-2H]-	249.18359	159.1
[M]+	228.20837	156.8
[M]-	228.20947	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe