CID 18954292

1-ethyl-1,3-dimethylurea

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCN(C)C(=O)NC

InChI

InChI=1S/C5H12N2O/c1-4-7(3)5(8)6-2/h4H2,1-3H3,(H,6,8)

InChIKey

GGYRVEUCCUJDFK-UHFFFAOYSA-N

Compound name

1-ethyl-1,3-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 116.09496 Da
Monoisotopic Mass: -0.1
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]+	117.10224	124.9
[M+Na]+	139.08418	133.6
[M+NH4]+	134.12878	132.7
[M+K]+	155.05812	129.4
[M-H]-	115.08768	125.4
[M+Na-2H]-	137.06963	128.9
[M]+	116.09441	125.9
[M]-	116.09551	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe