CID 86313083

(2r)-2-bromo-3-methoxypropanoic acid

Structural Information

Molecular Formula
C4H7BrO3
SMILES
COC[C@H](C(=O)O)Br
InChI
InChI=1S/C4H7BrO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey
PSAODTDHXIDDAT-GSVOUGTGSA-N
Compound name
(2R)-2-bromo-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.95786 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.965136 129.0
[M+Na]+ 204.947078 139.6
[M-H]- 180.950584 130.9
[M+NH4]+ 199.991683 151.5
[M+K]+ 220.921018 130.6
[M+H-H2O]+ 164.955120 129.8
[M+HCOO]- 226.956061 148.3
[M+CH3COO]- 240.971711 176.2
[M+Na-2H]- 202.932526 135.1
[M]+ 181.95731142 148.1
[M]- 181.95840858 148.1
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

No patent data available for this compound.