CID 4338720

3-cyclohexyl-1,1-diethylurea

Structural Information

Molecular Formula
C11H22N2O
SMILES
CCN(CC)C(=O)NC1CCCCC1
InChI
InChI=1S/C11H22N2O/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKey
ZNADTBMMQHPLQF-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.180496 149.1
[M+Na]+ 221.162438 151.1
[M-H]- 197.165944 152.6
[M+NH4]+ 216.207043 168.1
[M+K]+ 237.136378 151.1
[M+H-H2O]+ 181.170480 142.2
[M+HCOO]- 243.171421 170.6
[M+CH3COO]- 257.187071 192.4
[M+Na-2H]- 219.147886 151.7
[M]+ 198.17267142 145.1
[M]- 198.17376858 145.1
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