CID 7956

Cyanuric acid

Structural Information

Molecular Formula
C3H3N3O3
SMILES
C1(=O)NC(=O)NC(=O)N1
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKey
ZFSLODLOARCGLH-UHFFFAOYSA-N
Compound name
1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

516
References

101955
Patents

129.01744 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.02472 120.2
[M+Na]+ 152.00666 131.5
[M-H]- 128.01016 116.8
[M+NH4]+ 147.05126 136.3
[M+K]+ 167.98060 127.4
[M+H-H2O]+ 112.01470 113.8
[M+HCOO]- 174.01564 139.3
[M+CH3COO]- 188.03129 160.1
[M+Na-2H]- 149.99211 128.3
[M]+ 129.01689 116.7
[M]- 129.01799 116.7
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