CID 10582468

(2r)-3-bromo-2-hydroxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H7BrO3
SMILES
C[C@](CBr)(C(=O)O)O
InChI
InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
HBJAYXGUOOININ-BYPYZUCNSA-N
Compound name
(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

181.95786 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.965136 130.2
[M+Na]+ 204.947078 141.0
[M-H]- 180.950584 131.0
[M+NH4]+ 199.991683 152.2
[M+K]+ 220.921018 131.0
[M+H-H2O]+ 164.955120 131.6
[M+HCOO]- 226.956061 147.5
[M+CH3COO]- 240.971711 173.2
[M+Na-2H]- 202.932526 137.5
[M]+ 181.95731142 147.6
[M]- 181.95840858 147.6
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