CID 240057

1-butyl-3-furfurylurea

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CCCCNC(=O)NCC1=CC=CO1

InChI

InChI=1S/C10H16N2O2/c1-2-3-6-11-10(13)12-8-9-5-4-7-14-9/h4-5,7H,2-3,6,8H2,1H3,(H2,11,12,13)

InChIKey

FPTZKKLEZIKCLG-UHFFFAOYSA-N

Compound name

1-butyl-3-(furan-2-ylmethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 196.12119 Da
Monoisotopic Mass: 1.2
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]+	197.12847	145.7
[M+Na]+	219.11041	150.8
[M-H]-	195.11391	149.5
[M+NH4]+	214.15501	164.7
[M+K]+	235.08435	150.5
[M+H-H2O]+	179.11845	138.9
[M+HCOO]-	241.11939	171.3
[M+CH3COO]-	255.13504	186.8
[M+Na-2H]-	217.09586	151.3
[M]+	196.12064	147.0
[M]-	196.12174	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe