CID 10419723

1173023-16-9

Structural Information

Molecular Formula
C3H3N3O6
SMILES
C1(=O)N(C(=O)N(C(=O)N1O)O)O
InChI
InChI=1S/C3H3N3O6/c7-1-4(10)2(8)6(12)3(9)5(1)11/h10-12H
InChIKey
NBIJDQIBCRZHFK-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

543
Patents

177.00218 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.00946 127.0
[M+Na]+ 199.99140 140.5
[M-H]- 175.99490 124.8
[M+NH4]+ 195.03600 141.8
[M+K]+ 215.96534 138.2
[M+H-H2O]+ 159.99944 120.8
[M+HCOO]- 222.00038 146.6
[M+CH3COO]- 236.01603 171.2
[M+Na-2H]- 197.97685 133.1
[M]+ 177.00163 129.1
[M]- 177.00273 129.1
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