CID 111171

6204-42-8

Structural Information

Molecular Formula
C5H9BrO3
SMILES
C1[C@H](O[C@H](O1)CBr)CO
InChI
InChI=1S/C5H9BrO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKey
ZSLVLMWYSIERCN-UHNVWZDZSA-N
Compound name
[(2S,4R)-2-(bromomethyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.97351 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.980786 136.3
[M+Na]+ 218.962728 146.9
[M-H]- 194.966234 142.1
[M+NH4]+ 214.007333 157.7
[M+K]+ 234.936668 139.5
[M+H-H2O]+ 178.970770 137.4
[M+HCOO]- 240.971711 154.7
[M+CH3COO]- 254.987361 175.8
[M+Na-2H]- 216.948176 143.7
[M]+ 195.97296142 154.9
[M]- 195.97405858 154.9
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

No patent data available for this compound.