CID 122691685

Ammelide-ketone

Structural Information

Molecular Formula
C3H6N4O2
SMILES
C1(NC(=O)NC(=N1)N)O
InChI
InChI=1S/C3H6N4O2/c4-1-5-2(8)7-3(9)6-1/h2,8H,(H4,4,5,6,7,9)
InChIKey
MTVGISLWTIDTOW-UHFFFAOYSA-N
Compound name
4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

130.04907 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.056346 126.7
[M+Na]+ 153.038288 134.7
[M-H]- 129.041794 122.1
[M+NH4]+ 148.082893 142.1
[M+K]+ 169.012228 131.4
[M+H-H2O]+ 113.046330 120.0
[M+HCOO]- 175.047271 142.8
[M+CH3COO]- 189.062921 164.7
[M+Na-2H]- 151.023736 132.2
[M]+ 130.04852142 118.7
[M]- 130.04961858 118.7
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

patents stripe