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]+ 199.08257 142.7
[M+Na]+ 221.06451 150.9
[M-H]- 197.06801 141.9
[M+NH4]+ 216.10911 153.4
[M+K]+ 237.03845 147.7
[M+H-H2O]+ 181.07255 133.4
[M+HCOO]- 243.07349 156.6
[M+CH3COO]- 257.08914 153.2
[M+Na-2H]- 219.04996 149.3
[M]+ 198.07474 137.6
[M]- 198.07584 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.