CID 4610951

N-cyclohexyl-n'-(1,2,2-trimethylpropyl)urea

Structural Information

Molecular Formula
C13H26N2O
SMILES
CC(C(C)(C)C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C13H26N2O/c1-10(13(2,3)4)14-12(16)15-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3,(H2,14,15,16)
InChIKey
OLPJSBFBGOXCEH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(3,3-dimethylbutan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.20451 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.211786 157.6
[M+Na]+ 249.193728 158.9
[M-H]- 225.197234 159.7
[M+NH4]+ 244.238333 175.0
[M+K]+ 265.167668 158.1
[M+H-H2O]+ 209.201770 151.4
[M+HCOO]- 271.202711 175.4
[M+CH3COO]- 285.218361 195.5
[M+Na-2H]- 247.179176 159.6
[M]+ 226.20396142 151.9
[M]- 226.20505858 151.9
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

No patent data available for this compound.