CID 11595

N-butylurea

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCCCNC(=O)N

InChI

InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

InChIKey

CNWSQCLBDWYLAN-UHFFFAOYSA-N

Compound name

butylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 65
References: 3506
Patents: 116.09496 Da
Monoisotopic Mass: 0.4
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]+	117.10224	124.4
[M+Na]+	139.08418	132.5
[M+NH4]+	134.12878	131.8
[M+K]+	155.05812	128.1
[M-H]-	115.08768	124.4
[M+Na-2H]-	137.06963	127.7
[M]+	116.09441	125.1
[M]-	116.09551	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe