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

11
Patents

226.20451 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.211786 158.2
[M+Na]+ 249.193728 159.3
[M-H]- 225.197234 161.3
[M+NH4]+ 244.238333 176.0
[M+K]+ 265.167668 158.9
[M+H-H2O]+ 209.201770 150.9
[M+HCOO]- 271.202711 179.0
[M+CH3COO]- 285.218361 198.5
[M+Na-2H]- 247.179176 159.8
[M]+ 226.20396142 154.9
[M]- 226.20505858 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe