CID 217016

Urea, 1-ethyl-3-isobutyl-

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCNC(=O)NCC(C)C

InChI

InChI=1S/C7H16N2O/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H2,8,9,10)

InChIKey

OSZOVTMNVYQZRC-UHFFFAOYSA-N

Compound name

1-ethyl-3-(2-methylpropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 144.12627 Da
Monoisotopic Mass: 1.1
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	134.1
[M+Na]+	167.11549	141.8
[M+NH4]+	162.16009	141.2
[M+K]+	183.08943	137.4
[M-H]-	143.11899	133.9
[M+Na-2H]-	165.10094	136.9
[M]+	144.12572	134.7
[M]-	144.12682	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe