CID 3613676

1-butyl-3-cyclohexylurea

Structural Information

Molecular Formula
C11H22N2O
SMILES
CCCCNC(=O)NC1CCCCC1
InChI
InChI=1S/C11H22N2O/c1-2-3-9-12-11(14)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKey
PLFCUQQRXRYJPJ-UHFFFAOYSA-N
Compound name
1-butyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

198.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.180496 148.7
[M+Na]+ 221.162438 150.5
[M-H]- 197.165944 150.7
[M+NH4]+ 216.207043 167.0
[M+K]+ 237.136378 149.1
[M+H-H2O]+ 181.170480 141.9
[M+HCOO]- 243.171421 169.6
[M+CH3COO]- 257.187071 188.9
[M+Na-2H]- 219.147886 152.1
[M]+ 198.17267142 143.4
[M]- 198.17376858 143.4
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