CID 4323939

1-cyclohexyl-3-isobutylurea

Structural Information

Molecular Formula
C11H22N2O
SMILES
CC(C)CNC(=O)NC1CCCCC1
InChI
InChI=1S/C11H22N2O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKey
KSXZTCUHMYITTO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

198.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.180496 149.5
[M+Na]+ 221.162438 151.0
[M-H]- 197.165944 151.6
[M+NH4]+ 216.207043 167.7
[M+K]+ 237.136378 150.2
[M+H-H2O]+ 181.170480 142.8
[M+HCOO]- 243.171421 169.4
[M+CH3COO]- 257.187071 189.8
[M+Na-2H]- 219.147886 151.6
[M]+ 198.17267142 143.5
[M]- 198.17376858 143.5
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