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: 8780
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	157.8
[M+Na]+	251.19814	160.6
[M-H]-	227.20164	160.8
[M+NH4]+	246.24274	170.2
[M+K]+	267.17208	163.7
[M+H-H2O]+	211.20618	147.9
[M+HCOO]-	273.20712	175.9
[M+CH3COO]-	287.22277	196.5
[M+Na-2H]-	249.18359	161.3
[M]+	228.20837	170.7
[M]-	228.20947	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe