CID 145711478

2-((2-oxo-1,2-dihydropyridin-4-yl)oxy)acetic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CNC(=O)C=C1OCC(=O)O
InChI
InChI=1S/C7H7NO4/c9-6-3-5(1-2-8-6)12-4-7(10)11/h1-3H,4H2,(H,8,9)(H,10,11)
InChIKey
ZKGWAZKNSIODEE-UHFFFAOYSA-N
Compound name
2-[(2-oxo-1H-pyridin-4-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 130.2
[M+Na]+ 192.026718 138.6
[M-H]- 168.030224 130.2
[M+NH4]+ 187.071323 147.8
[M+K]+ 208.000658 136.6
[M+H-H2O]+ 152.034760 124.2
[M+HCOO]- 214.035701 151.4
[M+CH3COO]- 228.051351 171.3
[M+Na-2H]- 190.012166 136.6
[M]+ 169.03695142 130.2
[M]- 169.03804858 130.2
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.