CID 20887

N,n'-dibutylethyleneurea

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CCCCN1CCN(C1=O)CCCC

InChI

InChI=1S/C11H22N2O/c1-3-5-7-12-9-10-13(11(12)14)8-6-4-2/h3-10H2,1-2H3

InChIKey

FXCPLDHPNOXGOM-UHFFFAOYSA-N

Compound name

1,3-dibutylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 151
Patents: 198.17322 Da
Monoisotopic Mass: 2.0
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	149.0
[M+Na]+	221.162438	155.6
[M-H]-	197.165944	149.1
[M+NH4]+	216.207043	167.8
[M+K]+	237.136378	153.7
[M+H-H2O]+	181.170480	141.8
[M+HCOO]-	243.171421	168.5
[M+CH3COO]-	257.187071	187.0
[M+Na-2H]-	219.147886	150.3
[M]+	198.17267142	150.0
[M]-	198.17376858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe