CID 54693544

64169-92-2

Structural Information

Molecular Formula
C7H6N2O2
SMILES
CC1=C(C(=CC(=O)N1)O)C#N
InChI
InChI=1S/C7H6N2O2/c1-4-5(3-8)6(10)2-7(11)9-4/h2H,1H3,(H2,9,10,11)
InChIKey
OLTATMRIIFNCTG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

150.04292 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 128.9
[M+Na]+ 173.032138 140.7
[M-H]- 149.035644 129.4
[M+NH4]+ 168.076743 146.1
[M+K]+ 189.006078 137.5
[M+H-H2O]+ 133.040180 117.1
[M+HCOO]- 195.041121 147.0
[M+CH3COO]- 209.056771 184.0
[M+Na-2H]- 171.017586 134.5
[M]+ 150.04237142 123.0
[M]- 150.04346858 123.0
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

patents stripe