CID 12741628

2-(bromomethyl)-3-methyloxirane

Structural Information

Molecular Formula
C4H7BrO
SMILES
CC1C(O1)CBr
InChI
InChI=1S/C4H7BrO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
InChIKey
PNKIAICRRFHSBQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

149.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.7
[M+Na]+ 172.95725 138.0
[M-H]- 148.96075 132.1
[M+NH4]+ 168.00185 143.0
[M+K]+ 188.93119 129.2
[M+H-H2O]+ 132.96529 123.7
[M+HCOO]- 194.96623 145.2
[M+CH3COO]- 208.98188 177.4
[M+Na-2H]- 170.94270 133.6
[M]+ 149.96748 145.1
[M]- 149.96858 145.1
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