CID 79112

3-(chloromethyl)-3-methyloxetane

Structural Information

Molecular Formula
C5H9ClO
SMILES
CC1(COC1)CCl
InChI
InChI=1S/C5H9ClO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
MCZYEFODKAZWIH-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-3-methyloxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1028
Patents

120.034195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 113.4
[M+Na]+ 143.023413 121.4
[M-H]- 119.026919 117.9
[M+NH4]+ 138.068018 131.2
[M+K]+ 158.997353 123.6
[M+H-H2O]+ 103.031455 106.5
[M+HCOO]- 165.032396 131.1
[M+CH3COO]- 179.048046 171.3
[M+Na-2H]- 141.008861 123.2
[M]+ 120.03364642 124.2
[M]- 120.03474358 124.2
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