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]+ 229.061916 145.8
[M+Na]+ 251.043858 151.9
[M-H]- 227.047364 144.1
[M+NH4]+ 246.088463 160.3
[M+K]+ 267.017798 150.1
[M+H-H2O]+ 211.051900 138.1
[M+HCOO]- 273.052841 164.3
[M+CH3COO]- 287.068491 186.4
[M+Na-2H]- 249.029306 148.4
[M]+ 228.05409142 143.2
[M]- 228.05518858 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.