CID 15081642

Chembl210916

Structural Information

Molecular Formula
C8H13N3O5
SMILES
CC1=NN(C(=O)NC1=O)COC(CO)CO
InChI
InChI=1S/C8H13N3O5/c1-5-7(14)9-8(15)11(10-5)4-16-6(2-12)3-13/h6,12-13H,2-4H2,1H3,(H,9,14,15)
InChIKey
BRJFBLIIHDTJJQ-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.08553 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09281 147.6
[M+Na]+ 254.07475 156.8
[M-H]- 230.07825 143.9
[M+NH4]+ 249.11935 159.7
[M+K]+ 270.04869 153.9
[M+H-H2O]+ 214.08279 140.1
[M+HCOO]- 276.08373 164.3
[M+CH3COO]- 290.09938 182.7
[M+Na-2H]- 252.06020 151.5
[M]+ 231.08498 149.3
[M]- 231.08608 149.3
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.