CID 139597042

Cscd692760

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CC1(C(N2C(=NC(=O)NC2=O)N1)O)C
InChI
InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)
InChIKey
SDFNUIRNRULFGI-UHFFFAOYSA-N
Compound name
6-hydroxy-7,7-dimethyl-6,8-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 141.0
[M+Na]+ 221.06451 153.4
[M-H]- 197.06801 137.8
[M+NH4]+ 216.10911 158.4
[M+K]+ 237.03845 148.9
[M+H-H2O]+ 181.07255 134.9
[M+HCOO]- 243.07349 156.5
[M+CH3COO]- 257.08914 176.1
[M+Na-2H]- 219.04996 146.4
[M]+ 198.07474 139.8
[M]- 198.07584 139.8
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

No patent data available for this compound.