CID 79516

5444-02-0

Structural Information

Molecular Formula
C7H6N2O2
SMILES
CC1=CC(=O)NC(=C1C#N)O
InChI
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChIKey
YRGYYQCOWUULNF-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

843
Patents

150.04292 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe