CID 5093082

3-cyclohexyl-1,1-dipropylurea

Structural Information

Molecular Formula

C₁₃H₂₆N₂O

SMILES

CCCN(CCC)C(=O)NC1CCCCC1

InChI

InChI=1S/C13H26N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)

InChIKey

MYGQFTHNBDDOOK-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1,1-dipropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 226.20451 Da
Monoisotopic Mass: 3.1
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]+	227.21179	158.0
[M+Na]+	249.19373	165.2
[M+NH4]+	244.23833	165.6
[M+K]+	265.16767	159.2
[M-H]-	225.19723	160.4
[M+Na-2H]-	247.17918	161.5
[M]+	226.20396	159.3
[M]-	226.20506	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe