CID 529264

(3-(bromomethyl)oxetan-3-yl)methanol

Structural Information

Molecular Formula
C5H9BrO2
SMILES
C1C(CO1)(CO)CBr
InChI
InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
InChIKey
SESXZSLSTRITGO-UHFFFAOYSA-N
Compound name
[3-(bromomethyl)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

315
Patents

179.97859 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 119.7
[M+Na]+ 202.967808 129.4
[M-H]- 178.971314 125.5
[M+NH4]+ 198.012413 137.2
[M+K]+ 218.941748 124.0
[M+H-H2O]+ 162.975850 117.5
[M+HCOO]- 224.976791 138.3
[M+CH3COO]- 238.992441 177.6
[M+Na-2H]- 200.953256 130.4
[M]+ 179.97804142 145.9
[M]- 179.97913858 145.9
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