CID 84562

1,1-diethylbiuret

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

CCN(CC)C(=O)NC(=O)N

InChI

InChI=1S/C6H13N3O2/c1-3-9(4-2)6(11)8-5(7)10/h3-4H2,1-2H3,(H3,7,8,10,11)

InChIKey

INJNMKQLHWZRQR-UHFFFAOYSA-N

Compound name

3-carbamoyl-1,1-diethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 159.10077 Da
Monoisotopic Mass: 0.0
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]+	160.108046	136.0
[M+Na]+	182.089988	141.1
[M-H]-	158.093494	137.4
[M+NH4]+	177.134593	156.3
[M+K]+	198.063928	142.6
[M+H-H2O]+	142.098030	129.9
[M+HCOO]-	204.098971	161.6
[M+CH3COO]-	218.114621	186.7
[M+Na-2H]-	180.075436	139.2
[M]+	159.10022142	134.9
[M]-	159.10131858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe