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]+ 170.04478 130.2
[M+Na]+ 192.02672 138.6
[M-H]- 168.03022 130.2
[M+NH4]+ 187.07132 147.8
[M+K]+ 208.00066 136.6
[M+H-H2O]+ 152.03476 124.2
[M+HCOO]- 214.03570 151.4
[M+CH3COO]- 228.05135 171.3
[M+Na-2H]- 190.01217 136.6
[M]+ 169.03695 130.2
[M]- 169.03805 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.