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

85
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 125.6
[M+Na]+ 190.93143 136.1
[M-H]- 166.93493 126.3
[M+NH4]+ 185.97603 147.8
[M+K]+ 206.90537 126.4
[M+H-H2O]+ 150.93947 126.6
[M+HCOO]- 212.94041 143.7
[M+CH3COO]- 226.95606 171.0
[M+Na-2H]- 188.91688 131.5
[M]+ 167.94166 142.5
[M]- 167.94276 142.5
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

patents stripe