CID 10953698

2-(bromomethyl)-2-methyloxirane

Structural Information

Molecular Formula
C4H7BrO
SMILES
CC1(CO1)CBr
InChI
InChI=1S/C4H7BrO/c1-4(2-5)3-6-4/h2-3H2,1H3
InChIKey
KLIGCFPMFRTVFR-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

149.96803 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.1
[M+Na]+ 172.95725 137.2
[M-H]- 148.96075 131.6
[M+NH4]+ 168.00185 144.0
[M+K]+ 188.93119 129.4
[M+H-H2O]+ 132.96529 124.3
[M+HCOO]- 194.96623 144.4
[M+CH3COO]- 208.98188 176.1
[M+Na-2H]- 170.94270 134.7
[M]+ 149.96748 144.8
[M]- 149.96858 144.8
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