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 148.6
[M+Na]+ 294.96886 158.0
[M-H]- 270.97236 152.2
[M+NH4]+ 290.01346 165.9
[M+K]+ 310.94280 147.4
[M+H-H2O]+ 254.97690 147.1
[M+HCOO]- 316.97784 166.9
[M+CH3COO]- 330.99349 193.6
[M+Na-2H]- 292.95431 153.3
[M]+ 271.97909 166.1
[M]- 271.98019 166.1
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.