CID 13776210

70671-46-4

Structural Information

Molecular Formula
C3H5BrO3
SMILES
C([C@@H](C(=O)O)Br)O
InChI
InChI=1S/C3H5BrO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/t2-/m0/s1
InChIKey
OIODSHQRJGRDLE-REOHCLBHSA-N
Compound name
(2S)-2-bromo-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

167.94221 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.94949 125.2
[M+Na]+ 190.93143 125.3
[M+NH4]+ 185.97603 128.5
[M+K]+ 206.90537 128.4
[M-H]- 166.93493 121.7
[M+Na-2H]- 188.91688 125.0
[M]+ 167.94166 122.7
[M]- 167.94276 122.7
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