CID 5353800

Diamide

Structural Information

Molecular Formula

C₆H₁₂N₄O₂

SMILES

CN(C)C(=O)/N=N/C(=O)N(C)C

InChI

InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3/b8-7+

InChIKey

VLSDXINSOMDCBK-BQYQJAHWSA-N

Compound name

(3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1233
References: 1
Patents: 172.09602 Da
Monoisotopic Mass: 0.2
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	137.8
[M+Na]+	195.08524	143.4
[M-H]-	171.08874	144.1
[M+NH4]+	190.12984	159.5
[M+K]+	211.05918	147.9
[M+H-H2O]+	155.09328	130.7
[M+HCOO]-	217.09422	168.6
[M+CH3COO]-	231.10987	198.9
[M+Na-2H]-	193.07069	142.7
[M]+	172.09547	141.2
[M]-	172.09657	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe