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]+ 196.98079 133.8
[M+Na]+ 218.96273 144.2
[M-H]- 194.96623 135.7
[M+NH4]+ 214.00733 155.9
[M+K]+ 234.93667 134.9
[M+H-H2O]+ 178.97077 134.5
[M+HCOO]- 240.97171 152.9
[M+CH3COO]- 254.98736 178.4
[M+Na-2H]- 216.94818 139.4
[M]+ 195.97296 153.2
[M]- 195.97406 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