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

9
Patents

198.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18050 149.1
[M+Na]+ 221.16244 151.1
[M-H]- 197.16594 152.6
[M+NH4]+ 216.20704 168.1
[M+K]+ 237.13638 151.1
[M+H-H2O]+ 181.17048 142.2
[M+HCOO]- 243.17142 170.6
[M+CH3COO]- 257.18707 192.4
[M+Na-2H]- 219.14789 151.7
[M]+ 198.17267 145.1
[M]- 198.17377 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