CID 119879

28141-13-1

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CCN1C(=O)C=C(C(=C1O)C#N)C
InChI
InChI=1S/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,13H,3H2,1-2H3
InChIKey
YSNMMQRIPFUHAO-UHFFFAOYSA-N
Compound name
1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

547
Patents

178.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 134.5
[M+Na]+ 201.063448 146.6
[M-H]- 177.066954 136.2
[M+NH4]+ 196.108053 151.5
[M+K]+ 217.037388 144.0
[M+H-H2O]+ 161.071490 122.3
[M+HCOO]- 223.072431 153.3
[M+CH3COO]- 237.088081 192.8
[M+Na-2H]- 199.048896 139.1
[M]+ 178.07368142 131.3
[M]- 178.07477858 131.3
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