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

8
Annotation Hits: 514
References: 70556
Patents: 129.01744 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	130.02472	120.9
[M+Na]+	152.00666	133.0
[M+NH4]+	147.05126	125.8
[M+K]+	167.98060	129.7
[M-H]-	128.01016	118.0
[M+Na-2H]-	149.99211	125.5
[M]+	129.01689	121.3
[M]-	129.01799	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe