CID 87954

19184-65-7

Structural Information

Molecular Formula
C5H11BrO3
SMILES
C(C(CO)(CO)CBr)O
InChI
InChI=1S/C5H11BrO3/c6-1-5(2-7,3-8)4-9/h7-9H,1-4H2
InChIKey
MMHHBAUIJVTLFZ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

447
Patents

197.98917 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99645 137.3
[M+Na]+ 220.97839 147.2
[M-H]- 196.98189 136.4
[M+NH4]+ 216.02299 158.0
[M+K]+ 236.95233 136.1
[M+H-H2O]+ 180.98643 138.5
[M+HCOO]- 242.98737 153.5
[M+CH3COO]- 257.00302 173.8
[M+Na-2H]- 218.96384 144.6
[M]+ 197.98862 154.5
[M]- 197.98972 154.5
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.