CID 10419943

2-(2,3-dihydroxypropyl)-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C6H9N3O4
SMILES
C1=NN(C(=O)NC1=O)CC(CO)O
InChI
InChI=1S/C6H9N3O4/c10-3-4(11)2-9-6(13)8-5(12)1-7-9/h1,4,10-11H,2-3H2,(H,8,12,13)
InChIKey
HNRKRGBTISYNPO-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxypropyl)-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

187.05931 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06659 136.5
[M+Na]+ 210.04853 145.8
[M-H]- 186.05203 132.8
[M+NH4]+ 205.09313 150.2
[M+K]+ 226.02247 142.7
[M+H-H2O]+ 170.05657 129.4
[M+HCOO]- 232.05751 153.7
[M+CH3COO]- 246.07316 173.1
[M+Na-2H]- 208.03398 142.0
[M]+ 187.05876 135.7
[M]- 187.05986 135.7
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.