CID 97241

Nsc 107682

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CN(C)C1C(=O)NC(=O)N=N1
InChI
InChI=1S/C5H8N4O2/c1-9(2)3-4(10)6-5(11)8-7-3/h3H,1-2H3,(H,6,10,11)
InChIKey
FZQKSEOPQUENKM-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-6H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 131.2
[M+Na]+ 179.05395 139.6
[M-H]- 155.05745 131.1
[M+NH4]+ 174.09855 147.9
[M+K]+ 195.02789 138.8
[M+H-H2O]+ 139.06199 123.5
[M+HCOO]- 201.06293 151.0
[M+CH3COO]- 215.07858 178.6
[M+Na-2H]- 177.03940 137.2
[M]+ 156.06418 129.2
[M]- 156.06528 129.2
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

No patent data available for this compound.