CID 15676016

1-benzyl-1-methylurea

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CN(CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C9H12N2O/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)

InChIKey

KDLKRQZILLTMDF-UHFFFAOYSA-N

Compound name

1-benzyl-1-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 142
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
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]+	165.10224	135.6
[M+Na]+	187.08418	146.2
[M+NH4]+	182.12878	143.9
[M+K]+	203.05812	140.8
[M-H]-	163.08768	138.7
[M+Na-2H]-	185.06963	142.6
[M]+	164.09441	137.7
[M]-	164.09551	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe