CID 4277

1,3-dicyclohexylurea

Structural Information

Molecular Formula
C13H24N2O
SMILES
C1CCC(CC1)NC(=O)NC2CCCCC2
InChI
InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKey
ADFXKUOMJKEIND-UHFFFAOYSA-N
Compound name
1,3-dicyclohexylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

46
References

31136
Patents

224.18886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.19614 153.9
[M+Na]+ 247.17808 153.1
[M-H]- 223.18158 158.0
[M+NH4]+ 242.22268 170.4
[M+K]+ 263.15202 151.1
[M+H-H2O]+ 207.18612 146.1
[M+HCOO]- 269.18706 171.4
[M+CH3COO]- 283.20271 191.8
[M+Na-2H]- 245.16353 156.0
[M]+ 224.18831 142.5
[M]- 224.18941 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe