CID 6142

M-tolylurea

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=CC(=CC=C1)NC(=O)N

InChI

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

InChIKey

UVQVMNIYFXZXCI-UHFFFAOYSA-N

Compound name

(3-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 444
Patents: 150.07932 Da
Monoisotopic Mass: 1.3
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]+	151.08660	130.8
[M+Na]+	173.06854	141.8
[M+NH4]+	168.11314	139.1
[M+K]+	189.04248	136.4
[M-H]-	149.07204	133.7
[M+Na-2H]-	171.05399	137.6
[M]+	150.07877	132.9
[M]-	150.07987	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe