CID 5744356

3-(butoxymethyl)-3-(chloromethyl)oxetane

Structural Information

Molecular Formula
C9H17ClO2
SMILES
CCCCOCC1(COC1)CCl
InChI
InChI=1S/C9H17ClO2/c1-2-3-4-11-6-9(5-10)7-12-8-9/h2-8H2,1H3
InChIKey
IZKVMPOGWULDCF-UHFFFAOYSA-N
Compound name
3-(butoxymethyl)-3-(chloromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.098976 134.7
[M+Na]+ 215.080918 140.9
[M-H]- 191.084424 138.4
[M+NH4]+ 210.125523 149.6
[M+K]+ 231.054858 142.5
[M+H-H2O]+ 175.088960 126.7
[M+HCOO]- 237.089901 151.3
[M+CH3COO]- 251.105551 184.9
[M+Na-2H]- 213.066366 142.3
[M]+ 192.09115142 148.3
[M]- 192.09224858 148.3
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

No patent data available for this compound.