CID 25042

3,3-diethyloxetane

Structural Information

Molecular Formula
C7H14O
SMILES
CCC1(COC1)CC
InChI
InChI=1S/C7H14O/c1-3-7(4-2)5-8-6-7/h3-6H2,1-2H3
InChIKey
VFYHHERJNPKXIX-UHFFFAOYSA-N
Compound name
3,3-diethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

610
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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