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]+ 131.05635 126.7
[M+Na]+ 153.03829 134.7
[M-H]- 129.04179 122.1
[M+NH4]+ 148.08289 142.1
[M+K]+ 169.01223 131.4
[M+H-H2O]+ 113.04633 120.0
[M+HCOO]- 175.04727 142.8
[M+CH3COO]- 189.06292 164.7
[M+Na-2H]- 151.02374 132.2
[M]+ 130.04852 118.7
[M]- 130.04962 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.