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]+ 227.21179 159.0
[M+Na]+ 249.19373 159.5
[M-H]- 225.19723 160.8
[M+NH4]+ 244.23833 176.0
[M+K]+ 265.16767 158.7
[M+H-H2O]+ 209.20177 152.1
[M+HCOO]- 271.20271 177.3
[M+CH3COO]- 285.21836 196.8
[M+Na-2H]- 247.17918 158.8
[M]+ 226.20396 153.1
[M]- 226.20506 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.