CID 819923

1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
CN1C=CC(=CC1=O)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
InChIKey
XUKWOJNDLIOXSC-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

153.04259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.0
[M+Na]+ 176.03181 140.7
[M+NH4]+ 171.07641 135.0
[M+K]+ 192.00575 136.3
[M-H]- 152.03531 128.0
[M+Na-2H]- 174.01726 133.8
[M]+ 153.04204 129.6
[M]- 153.04314 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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