CID 10853

Benzylurea

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)

InChIKey

RJNJWHFSKNJCTB-UHFFFAOYSA-N

Compound name

benzylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 4059
Patents: 150.07932 Da
Monoisotopic Mass: 0.7
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	131.1
[M+Na]+	173.06854	141.7
[M+NH4]+	168.11314	139.4
[M+K]+	189.04248	136.1
[M-H]-	149.07204	133.9
[M+Na-2H]-	171.05399	138.1
[M]+	150.07877	133.1
[M]-	150.07987	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe