CID 10012584

(2r,3r)-2-bromo-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H7BrO3
SMILES
C[C@H]([C@H](C(=O)O)Br)O
InChI
InChI=1S/C4H7BrO3/c1-2(6)3(5)4(7)8/h2-3,6H,1H3,(H,7,8)/t2-,3-/m1/s1
InChIKey
LCHQHZMPERBYFH-PWNYCUMCSA-N
Compound name
(2R,3R)-2-bromo-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

181.95786 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.965136 130.6
[M+Na]+ 204.947078 140.5
[M-H]- 180.950584 131.2
[M+NH4]+ 199.991683 152.3
[M+K]+ 220.921018 131.0
[M+H-H2O]+ 164.955120 131.4
[M+HCOO]- 226.956061 147.5
[M+CH3COO]- 240.971711 174.7
[M+Na-2H]- 202.932526 134.8
[M]+ 181.95731142 147.2
[M]- 181.95840858 147.2
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