CID 95670

1-butyl-3-ethylurea

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCNC(=O)NCC

InChI

InChI=1S/C7H16N2O/c1-3-5-6-9-7(10)8-4-2/h3-6H2,1-2H3,(H2,8,9,10)

InChIKey

BFLWAUWLGJKDMJ-UHFFFAOYSA-N

Compound name

1-butyl-3-ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 144.12627 Da
Monoisotopic Mass: 1.0
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]+	145.13355	133.5
[M+Na]+	167.11549	141.5
[M+NH4]+	162.16009	140.7
[M+K]+	183.08943	136.3
[M-H]-	143.11899	133.5
[M+Na-2H]-	165.10094	136.7
[M]+	144.12572	134.2
[M]-	144.12682	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe