CID 13880

1-methyl-3-phenylurea

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CNC(=O)NC1=CC=CC=C1

InChI

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

InChIKey

SQBHGDSDVWCPHN-UHFFFAOYSA-N

Compound name

1-methyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1159
Patents: 150.07932 Da
Monoisotopic Mass: 1.1
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]+	151.086596	130.1
[M+Na]+	173.068538	136.4
[M-H]-	149.072044	133.9
[M+NH4]+	168.113143	150.6
[M+K]+	189.042478	135.0
[M+H-H2O]+	133.076580	123.9
[M+HCOO]-	195.077521	156.5
[M+CH3COO]-	209.093171	178.6
[M+Na-2H]-	171.053986	138.2
[M]+	150.07877142	128.1
[M]-	150.07986858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe