CID 75091

Dodecylurea

Structural Information

Molecular Formula

C₁₃H₂₈N₂O

SMILES

CCCCCCCCCCCCNC(=O)N

InChI

InChI=1S/C13H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16/h2-12H2,1H3,(H3,14,15,16)

InChIKey

WRNOAELBRPKVHC-UHFFFAOYSA-N

Compound name

dodecylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1534
Patents: 228.22017 Da
Monoisotopic Mass: 4.6
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]+	229.22745	159.7
[M+Na]+	251.20939	166.1
[M+NH4]+	246.25399	165.7
[M+K]+	267.18333	159.8
[M-H]-	227.21289	159.3
[M+Na-2H]-	249.19484	160.9
[M]+	228.21962	160.0
[M]-	228.22072	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe