CID 11073521

4-amino-6-methyl-2h-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C4H6N4O2
SMILES
CC1=NNC(=O)N(C1=O)N
InChI
InChI=1S/C4H6N4O2/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKey
OBVMWVBNOLJKBG-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12
Patents

142.04907 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.056346 125.6
[M+Na]+ 165.038288 137.4
[M-H]- 141.041794 124.8
[M+NH4]+ 160.082893 142.6
[M+K]+ 181.012228 134.4
[M+H-H2O]+ 125.046330 118.7
[M+HCOO]- 187.047271 147.5
[M+CH3COO]- 201.062921 172.2
[M+Na-2H]- 163.023736 132.9
[M]+ 142.04852142 124.2
[M]- 142.04961858 124.2
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