CID 87801

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

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C1(=NNC(=O)NC1=O)N
InChI
InChI=1S/C3H4N4O2/c4-1-2(8)5-3(9)7-6-1/h(H2,4,6)(H2,5,7,8,9)
InChIKey
GFJDLRANNRSMCK-UHFFFAOYSA-N
Compound name
6-amino-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

128.03343 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.040706 121.8
[M+Na]+ 151.022648 132.6
[M-H]- 127.026154 119.4
[M+NH4]+ 146.067253 138.3
[M+K]+ 166.996588 129.0
[M+H-H2O]+ 111.030690 115.0
[M+HCOO]- 173.031631 142.5
[M+CH3COO]- 187.047281 165.6
[M+Na-2H]- 149.008096 129.9
[M]+ 128.03288142 117.8
[M]- 128.03397858 117.8
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