CID 4153324

2222-58-4

Structural Information

Molecular Formula
C14H26N2O
SMILES
C1CCC(CC1)CNC(=O)NC2CCCCC2
InChI
InChI=1S/C14H26N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKey
PMBPKSGAGUUSQE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(cyclohexylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

238.20451 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.211786 158.3
[M+Na]+ 261.193728 157.0
[M-H]- 237.197234 162.2
[M+NH4]+ 256.238333 174.2
[M+K]+ 277.167668 154.8
[M+H-H2O]+ 221.201770 150.3
[M+HCOO]- 283.202711 175.4
[M+CH3COO]- 297.218361 194.8
[M+Na-2H]- 259.179176 159.9
[M]+ 238.20396142 147.2
[M]- 238.20505858 147.2
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