CID 95479

Nsc 13403

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

3
Annotation Hits: 0
References: 640
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]+	173.103296	138.4
[M+Na]+	195.085238	143.8
[M-H]-	171.088744	135.9
[M+NH4]+	190.129843	153.8
[M+K]+	211.059178	141.1
[M+H-H2O]+	155.093280	131.6
[M+HCOO]-	217.094221	155.2
[M+CH3COO]-	231.109871	178.3
[M+Na-2H]-	193.070686	141.1
[M]+	172.09547142	129.3
[M]-	172.09656858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe