CID 199788

4956-12-1

Structural Information

Molecular Formula
C7H10N4O3
SMILES
C1COCCN1C2=NNC(=O)NC2=O
InChI
InChI=1S/C7H10N4O3/c12-6-5(9-10-7(13)8-6)11-1-3-14-4-2-11/h1-4H2,(H2,8,10,12,13)
InChIKey
UTKHPCKCRAFBOP-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

198.07529 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 142.7
[M+Na]+ 221.064508 150.9
[M-H]- 197.068014 141.9
[M+NH4]+ 216.109113 153.4
[M+K]+ 237.038448 147.7
[M+H-H2O]+ 181.072550 133.4
[M+HCOO]- 243.073491 156.6
[M+CH3COO]- 257.089141 153.2
[M+Na-2H]- 219.049956 149.3
[M]+ 198.07474142 137.6
[M]- 198.07583858 137.6
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

No patent data available for this compound.