CID 19905815

3-(bromomethyl)oxetane

Structural Information

Molecular Formula
C4H7BrO
SMILES
C1C(CO1)CBr
InChI
InChI=1S/C4H7BrO/c5-1-4-2-6-3-4/h4H,1-3H2
InChIKey
IEDRUQXJIWTVIL-UHFFFAOYSA-N
Compound name
3-(bromomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

691
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 111.2
[M+Na]+ 172.95725 121.1
[M-H]- 148.96075 118.1
[M+NH4]+ 168.00185 128.7
[M+K]+ 188.93119 116.4
[M+H-H2O]+ 132.96529 108.1
[M+HCOO]- 194.96623 131.3
[M+CH3COO]- 208.98188 175.9
[M+Na-2H]- 170.94270 122.0
[M]+ 149.96748 137.0
[M]- 149.96858 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe