CID 144860

3-(bromomethyl)-3-methyloxetane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC1(COC1)CBr
InChI
InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
MGBZKWOJRYGRTO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methyloxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

850
Patents

163.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 115.5
[M+Na]+ 186.972888 125.8
[M-H]- 162.976394 122.7
[M+NH4]+ 182.017493 134.4
[M+K]+ 202.946828 121.0
[M+H-H2O]+ 146.980930 113.6
[M+HCOO]- 208.981871 135.4
[M+CH3COO]- 222.997521 178.3
[M+Na-2H]- 184.958336 126.8
[M]+ 163.98312142 142.1
[M]- 163.98421858 142.1
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