CID 12584

Ammelide

Structural Information

Molecular Formula

C₃H₄N₄O₂

SMILES

C1(=NC(=O)NC(=O)N1)N

InChI

InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)

InChIKey

YSKUZVBSHIWEFK-UHFFFAOYSA-N

Compound name

6-amino-1H-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 49
References: 4764
Patents: 128.03343 Da
Monoisotopic Mass: -1.5
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]+	129.04071	121.8
[M+Na]+	151.02265	132.6
[M-H]-	127.02615	119.4
[M+NH4]+	146.06725	138.3
[M+K]+	166.99659	129.0
[M+H-H2O]+	111.03069	115.0
[M+HCOO]-	173.03163	142.5
[M+CH3COO]-	187.04728	165.6
[M+Na-2H]-	149.00810	129.9
[M]+	128.03288	117.8
[M]-	128.03398	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe