CID 592814

N-cyclopropylammelide

Structural Information

Molecular Formula

C₆H₈N₄O₂

SMILES

C1CC1NC2=NC(=O)NC(=O)N2

InChI

InChI=1S/C6H8N4O2/c11-5-8-4(7-3-1-2-3)9-6(12)10-5/h3H,1-2H2,(H3,7,8,9,10,11,12)

InChIKey

BLNVGTGPKHCQME-UHFFFAOYSA-N

Compound name

6-(cyclopropylamino)-1H-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 0
Patents: 168.06473 Da
Monoisotopic Mass: -0.5
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]+	169.072006	141.0
[M+Na]+	191.053948	152.4
[M-H]-	167.057454	142.7
[M+NH4]+	186.098553	151.3
[M+K]+	207.027888	146.2
[M+H-H2O]+	151.061990	133.1
[M+HCOO]-	213.062931	162.0
[M+CH3COO]-	227.078581	177.5
[M+Na-2H]-	189.039396	148.2
[M]+	168.06418142	140.2
[M]-	168.06527858	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.