CID 115496372

1562378-20-4

Structural Information

Molecular Formula
C9H9FN2O4
SMILES
C1=CC(=NC(=C1)F)C(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C9H9FN2O4/c10-7-3-1-2-5(11-7)8(14)12-6(4-13)9(15)16/h1-3,6,13H,4H2,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKey
QTXLCQJRTFHYSG-LURJTMIESA-N
Compound name
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06192 145.8
[M+Na]+ 251.04386 151.9
[M-H]- 227.04736 144.1
[M+NH4]+ 246.08846 160.3
[M+K]+ 267.01780 150.1
[M+H-H2O]+ 211.05190 138.1
[M+HCOO]- 273.05284 164.3
[M+CH3COO]- 287.06849 186.4
[M+Na-2H]- 249.02931 148.4
[M]+ 228.05409 143.2
[M]- 228.05519 143.2
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.