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]+ 193.09898 134.7
[M+Na]+ 215.08092 140.9
[M-H]- 191.08442 138.4
[M+NH4]+ 210.12552 149.6
[M+K]+ 231.05486 142.5
[M+H-H2O]+ 175.08896 126.7
[M+HCOO]- 237.08990 151.3
[M+CH3COO]- 251.10555 184.9
[M+Na-2H]- 213.06637 142.3
[M]+ 192.09115 148.3
[M]- 192.09225 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.