CID 78316

4559-87-9

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

InChI=1S/C8H10N2O/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)

InChIKey

SKAADKSETAYKGL-UHFFFAOYSA-N

Compound name

1-methyl-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 427
Patents: 150.07932 Da
Monoisotopic Mass: 0.4
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]+	151.08660	130.6
[M+Na]+	173.06854	136.9
[M-H]-	149.07204	135.3
[M+NH4]+	168.11314	151.4
[M+K]+	189.04248	136.6
[M+H-H2O]+	133.07658	124.2
[M+HCOO]-	195.07752	156.9
[M+CH3COO]-	209.09317	182.1
[M+Na-2H]-	171.05399	136.8
[M]+	150.07877	128.8
[M]-	150.07987	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe