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

8
Patents

226.20451 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.21179 158.2
[M+Na]+ 249.19373 159.3
[M-H]- 225.19723 161.3
[M+NH4]+ 244.23833 176.0
[M+K]+ 265.16767 158.9
[M+H-H2O]+ 209.20177 150.9
[M+HCOO]- 271.20271 179.0
[M+CH3COO]- 285.21836 198.5
[M+Na-2H]- 247.17918 159.8
[M]+ 226.20396 154.9
[M]- 226.20506 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