CID 4417023

N-(sec-butyl)-n'-cyclohexylurea

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CCC(C)NC(=O)NC1CCCCC1

InChI

InChI=1S/C11H22N2O/c1-3-9(2)12-11(14)13-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)

InChIKey

JNXNNHVJXOJOAD-UHFFFAOYSA-N

Compound name

1-butan-2-yl-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 198.17322 Da
Monoisotopic Mass: 2.5
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]+	199.180496	149.5
[M+Na]+	221.162438	151.0
[M-H]-	197.165944	151.6
[M+NH4]+	216.207043	167.7
[M+K]+	237.136378	150.2
[M+H-H2O]+	181.170480	142.8
[M+HCOO]-	243.171421	169.4
[M+CH3COO]-	257.187071	189.8
[M+Na-2H]-	219.147886	151.6
[M]+	198.17267142	143.5
[M]-	198.17376858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe