CID 62958774

(2r)-2-[(5-bromopyridin-2-yl)formamido]propanoic acid

Structural Information

Molecular Formula
C9H9BrN2O3
SMILES
C[C@H](C(=O)O)NC(=O)C1=NC=C(C=C1)Br
InChI
InChI=1S/C9H9BrN2O3/c1-5(9(14)15)12-8(13)7-3-2-6(10)4-11-7/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1
InChIKey
BJOMPCIXUQNNBH-RXMQYKEDSA-N
Compound name
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.97964 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98692 148.1
[M+Na]+ 294.96886 148.8
[M+NH4]+ 290.01346 150.5
[M+K]+ 310.94280 151.5
[M-H]- 270.97236 146.4
[M+Na-2H]- 292.95431 149.6
[M]+ 271.97909 146.2
[M]- 271.98019 146.2
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.