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

144
Patents

114.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 119.9
[M+Na]+ 137.09368 126.2
[M-H]- 113.09718 124.5
[M+NH4]+ 132.13828 137.1
[M+K]+ 153.06762 130.2
[M+H-H2O]+ 97.101720 111.8
[M+HCOO]- 159.10266 141.3
[M+CH3COO]- 173.11831 173.4
[M+Na-2H]- 135.07913 128.8
[M]+ 114.10391 129.8
[M]- 114.10501 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

No literature data available for this compound.

Patent stripe

patents stripe