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

774
Patents

163.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 124.9
[M+Na]+ 186.97289 123.8
[M+NH4]+ 182.01749 128.4
[M+K]+ 202.94683 124.7
[M-H]- 162.97639 124.0
[M+Na-2H]- 184.95834 126.9
[M]+ 163.98312 122.5
[M]- 163.98422 122.5
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

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