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

867
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 119.9
[M+Na]+ 137.093678 126.2
[M-H]- 113.097184 124.5
[M+NH4]+ 132.138283 137.1
[M+K]+ 153.067618 130.2
[M+H-H2O]+ 97.101720 111.8
[M+HCOO]- 159.102661 141.3
[M+CH3COO]- 173.118311 173.4
[M+Na-2H]- 135.079126 128.8
[M]+ 114.10391142 129.8
[M]- 114.10500858 129.8
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

patents stripe