CID 187660

87934-68-7

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

C1=CC(=CC=C1NC(=O)NCCCO)Cl

InChI

InChI=1S/C10H13ClN2O2/c11-8-2-4-9(5-3-8)13-10(15)12-6-1-7-14/h2-5,14H,1,6-7H2,(H2,12,13,15)

InChIKey

UGIFQFDGIBLLAA-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(3-hydroxypropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 54
Patents: 228.06656 Da
Monoisotopic Mass: 1.2
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]+	229.07384	148.9
[M+Na]+	251.05578	155.5
[M-H]-	227.05928	151.0
[M+NH4]+	246.10038	166.7
[M+K]+	267.02972	151.3
[M+H-H2O]+	211.06382	143.5
[M+HCOO]-	273.06476	168.8
[M+CH3COO]-	287.08041	189.3
[M+Na-2H]-	249.04123	154.2
[M]+	228.06601	149.6
[M]-	228.06711	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe