CID 104495

53422-09-6

Structural Information

Molecular Formula
C7H6N2O2
SMILES
CN1C(=O)C=CC(=C1O)C#N
InChI
InChI=1S/C7H6N2O2/c1-9-6(10)3-2-5(4-8)7(9)11/h2-3,11H,1H3
InChIKey
FBRWJWNNKZXTPS-UHFFFAOYSA-N
Compound name
2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

150.04292 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 127.0
[M+Na]+ 173.032138 139.2
[M-H]- 149.035644 128.7
[M+NH4]+ 168.076743 144.8
[M+K]+ 189.006078 136.8
[M+H-H2O]+ 133.040180 114.9
[M+HCOO]- 195.041121 146.4
[M+CH3COO]- 209.056771 186.3
[M+Na-2H]- 171.017586 133.2
[M]+ 150.04237142 122.8
[M]- 150.04346858 122.8
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