CID 4136947

223395-46-8

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

C1CCC(CC1)NC(=O)NCCOCCO

InChI

InChI=1S/C11H22N2O3/c14-7-9-16-8-6-12-11(15)13-10-4-2-1-3-5-10/h10,14H,1-9H2,(H2,12,13,15)

InChIKey

MRFMLXVESMOQQG-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.16304 Da
Monoisotopic Mass: 0.3
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]+	231.17032	153.7
[M+Na]+	253.15226	154.9
[M-H]-	229.15576	154.1
[M+NH4]+	248.19686	169.8
[M+K]+	269.12620	153.7
[M+H-H2O]+	213.16030	146.6
[M+HCOO]-	275.16124	173.6
[M+CH3COO]-	289.17689	190.7
[M+Na-2H]-	251.13771	156.8
[M]+	230.16249	149.4
[M]-	230.16359	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe