CID 95479

1129-42-6

Structural Information

Molecular Formula

C₆H₁₂N₄O₂

SMILES

CC1CC(NC(=O)N1)NC(=O)N

InChI

InChI=1S/C6H12N4O2/c1-3-2-4(9-5(7)11)10-6(12)8-3/h3-4H,2H2,1H3,(H3,7,9,11)(H2,8,10,12)

InChIKey

CZAUMIGWDFREBR-UHFFFAOYSA-N

Compound name

(6-methyl-2-oxo-1,3-diazinan-4-yl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 583
Patents: 172.09602 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]+	173.10330	136.9
[M+Na]+	195.08524	143.7
[M+NH4]+	190.12984	141.9
[M+K]+	211.05918	141.2
[M-H]-	171.08874	135.6
[M+Na-2H]-	193.07069	138.4
[M]+	172.09547	136.7
[M]-	172.09657	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe