CID 306672

54088-56-1

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CC(C)(C)NC(=O)NC1CCCCC1

InChI

InChI=1S/C11H22N2O/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14)

InChIKey

COLUTWBYJCLQKO-UHFFFAOYSA-N

Compound name

1-tert-butyl-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 198.17322 Da
Monoisotopic Mass: 1.9
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]+	199.18050	148.7
[M+Na]+	221.16244	155.9
[M+NH4]+	216.20704	156.3
[M+K]+	237.13638	151.2
[M-H]-	197.16594	150.3
[M+Na-2H]-	219.14789	152.6
[M]+	198.17267	149.8
[M]-	198.17377	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe