CID 199677

2,2-diethyloxetane

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCC1(CCO1)CC

InChI

InChI=1S/C7H14O/c1-3-7(4-2)5-6-8-7/h3-6H2,1-2H3

InChIKey

NVMOGAAWWSMHML-UHFFFAOYSA-N

Compound name

2,2-diethyloxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
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]+	115.11174	121.6
[M+Na]+	137.09368	128.6
[M+NH4]+	132.13828	128.2
[M+K]+	153.06762	123.2
[M-H]-	113.09718	121.9
[M+Na-2H]-	135.07913	126.0
[M]+	114.10391	121.6
[M]-	114.10501	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe