CID 137964166

3-(3-bromopyridin-4-yl)-2-hydroxypropanoic acid hydrochloride

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1=CN=CC(=C1CC(C(=O)O)O)Br
InChI
InChI=1S/C8H8BrNO3/c9-6-4-10-2-1-5(6)3-7(11)8(12)13/h1-2,4,7,11H,3H2,(H,12,13)
InChIKey
NPPIURJPMOIQNT-UHFFFAOYSA-N
Compound name
3-(3-bromo-4-pyridinyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.96877 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 142.4
[M+Na]+ 267.957988 152.7
[M-H]- 243.961494 144.9
[M+NH4]+ 263.002593 160.6
[M+K]+ 283.931928 141.9
[M+H-H2O]+ 227.966030 142.0
[M+HCOO]- 289.966971 159.5
[M+CH3COO]- 303.982621 184.3
[M+Na-2H]- 265.943436 148.0
[M]+ 244.96822142 160.0
[M]- 244.96931858 160.0
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.