CID 11964350

Methyl 2-bromo-3-hydroxypropanoate

Structural Information

Molecular Formula
C4H7BrO3
SMILES
COC(=O)C(CO)Br
InChI
InChI=1S/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
InChIKey
GVXAFLUDYYQGCG-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

181.95786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.965136 129.1
[M+Na]+ 204.947078 139.9
[M-H]- 180.950584 131.2
[M+NH4]+ 199.991683 151.8
[M+K]+ 220.921018 130.9
[M+H-H2O]+ 164.955120 130.0
[M+HCOO]- 226.956061 148.5
[M+CH3COO]- 240.971711 175.6
[M+Na-2H]- 202.932526 135.2
[M]+ 181.95731142 148.2
[M]- 181.95840858 148.2
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