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

17
Patents

125.058914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.7
[M+Na]+ 148.048132 133.8
[M-H]- 124.051638 121.8
[M+NH4]+ 143.092737 140.8
[M+K]+ 164.022072 131.3
[M+H-H2O]+ 108.056174 115.9
[M+HCOO]- 170.057115 143.5
[M+CH3COO]- 184.072765 168.3
[M+Na-2H]- 146.033580 131.1
[M]+ 125.05836542 122.3
[M]- 125.05946258 122.3
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