CID 13180684

Ethyl 3-bromo-2-hydroxypropanoate

Structural Information

Molecular Formula
C5H9BrO3
SMILES
CCOC(=O)C(CBr)O
InChI
InChI=1S/C5H9BrO3/c1-2-9-5(8)4(7)3-6/h4,7H,2-3H2,1H3
InChIKey
PGYLVERCTHVHET-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.97351 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.980786 133.8
[M+Na]+ 218.962728 144.2
[M-H]- 194.966234 135.7
[M+NH4]+ 214.007333 155.9
[M+K]+ 234.936668 134.9
[M+H-H2O]+ 178.970770 134.5
[M+HCOO]- 240.971711 152.9
[M+CH3COO]- 254.987361 178.4
[M+Na-2H]- 216.948176 139.4
[M]+ 195.97296142 153.2
[M]- 195.97405858 153.2
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