CID 6275

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

Structural Information

Molecular Formula
C3H3N3O2
SMILES
C1=NC(=O)NC(=O)N1
InChI
InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
InChIKey
GEWRKGDRYZIFNP-UHFFFAOYSA-N
Compound name
1H-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

4386
Patents

113.02253 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.02981 117.0
[M+Na]+ 136.01175 127.7
[M-H]- 112.01525 114.6
[M+NH4]+ 131.05635 134.3
[M+K]+ 151.98569 124.6
[M+H-H2O]+ 96.019790 110.3
[M+HCOO]- 158.02073 137.3
[M+CH3COO]- 172.03638 159.9
[M+Na-2H]- 133.99720 126.5
[M]+ 113.02198 114.3
[M]- 113.02308 114.3
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

patents stripe