CID 4123670

N-cyclohexyl-n'-(1,3-dimethylbutyl)urea

Structural Information

Molecular Formula
C13H26N2O
SMILES
CC(C)CC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C13H26N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKey
MULWXDIQMVYTFG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-methylpentan-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 159.0
[M+Na]+ 249.193728 159.5
[M-H]- 225.197234 160.8
[M+NH4]+ 244.238333 176.0
[M+K]+ 265.167668 158.7
[M+H-H2O]+ 209.201770 152.1
[M+HCOO]- 271.202711 177.3
[M+CH3COO]- 285.218361 196.8
[M+Na-2H]- 247.179176 158.8
[M]+ 226.20396142 153.1
[M]- 226.20505858 153.1
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

No patent data available for this compound.