CID 28693622

Potassium dimethyl-1,2,4-triazin-3-olate

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=NC(=O)NN=C1C
InChI
InChI=1S/C5H7N3O/c1-3-4(2)7-8-5(9)6-3/h1-2H3,(H,6,8,9)
InChIKey
GRAVXJYUIATAAN-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2H-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.058914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 123.0
[M+Na]+ 148.04813 136.8
[M+NH4]+ 143.09274 130.1
[M+K]+ 164.02207 131.5
[M-H]- 124.05164 122.7
[M+Na-2H]- 146.03358 129.7
[M]+ 125.05837 124.7
[M]- 125.05946 124.7
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