CID 280347

N-cyclohexyl-n'-propylurea

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CCCNC(=O)NC1CCCCC1

InChI

InChI=1S/C10H20N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)

InChIKey

GRLSYRNKNDLBAO-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 184.15756 Da
Monoisotopic Mass: 2.1
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]+	185.164836	144.2
[M+Na]+	207.146778	146.4
[M-H]-	183.150284	146.4
[M+NH4]+	202.191383	163.0
[M+K]+	223.120718	145.3
[M+H-H2O]+	167.154820	137.6
[M+HCOO]-	229.155761	165.5
[M+CH3COO]-	243.171411	185.9
[M+Na-2H]-	205.132226	148.1
[M]+	184.15701142	138.5
[M]-	184.15810858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe