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
2
Annotation Hits

5
References

666
Patents

150.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 128.9
[M+Na]+ 173.03214 140.7
[M-H]- 149.03564 129.4
[M+NH4]+ 168.07674 146.1
[M+K]+ 189.00608 137.5
[M+H-H2O]+ 133.04018 117.1
[M+HCOO]- 195.04112 147.0
[M+CH3COO]- 209.05677 184.0
[M+Na-2H]- 171.01759 134.5
[M]+ 150.04237 123.0
[M]- 150.04347 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