CID 113347

27074-03-9

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC1=CC(=O)N(C(=C1C#N)O)C
InChI
InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,12H,1-2H3
InChIKey
PJKGLFXXEKCAIE-UHFFFAOYSA-N
Compound name
2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

418
Patents

164.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.5
[M+Na]+ 187.04780 143.0
[M-H]- 163.05130 132.4
[M+NH4]+ 182.09240 148.1
[M+K]+ 203.02174 140.6
[M+H-H2O]+ 147.05584 118.5
[M+HCOO]- 209.05678 149.6
[M+CH3COO]- 223.07243 190.1
[M+Na-2H]- 185.03325 135.6
[M]+ 164.05803 127.0
[M]- 164.05913 127.0
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