CID 11041061

3-(bromomethyl)-2,2-dimethyloxirane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC1(C(O1)CBr)C
InChI
InChI=1S/C5H9BrO/c1-5(2)4(3-6)7-5/h4H,3H2,1-2H3
InChIKey
KLNAKPRPVCQFAW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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 126.3
[M+Na]+ 186.97289 140.8
[M-H]- 162.97639 135.0
[M+NH4]+ 182.01749 147.0
[M+K]+ 202.94683 132.7
[M+H-H2O]+ 146.98093 127.6
[M+HCOO]- 208.98187 147.3
[M+CH3COO]- 222.99752 179.7
[M+Na-2H]- 184.95834 136.9
[M]+ 163.98312 148.7
[M]- 163.98422 148.7
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