CID 135031

N,n-diethyl-n'-methylurea

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CCN(CC)C(=O)NC

InChI

InChI=1S/C6H14N2O/c1-4-8(5-2)6(9)7-3/h4-5H2,1-3H3,(H,7,9)

InChIKey

CSAUXMDYLYBUNJ-UHFFFAOYSA-N

Compound name

1,1-diethyl-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 237
Patents: 130.11061 Da
Monoisotopic Mass: 0.3
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]+	131.117886	129.7
[M+Na]+	153.099828	135.5
[M-H]-	129.103334	131.5
[M+NH4]+	148.144433	151.9
[M+K]+	169.073768	137.0
[M+H-H2O]+	113.107870	124.2
[M+HCOO]-	175.108811	155.4
[M+CH3COO]-	189.124461	180.9
[M+Na-2H]-	151.085276	135.0
[M]+	130.11006142	130.5
[M]-	130.11115858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe