CID 4567906

N-cyclohexyl-n'-(1-methylbutyl)urea

Structural Information

Molecular Formula
C12H24N2O
SMILES
CCCC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C12H24N2O/c1-3-7-10(2)13-12(15)14-11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKey
FJQRSEXWVWHZQL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-pentan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.18886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.196136 154.0
[M+Na]+ 235.178078 155.1
[M-H]- 211.181584 155.9
[M+NH4]+ 230.222683 171.6
[M+K]+ 251.152018 154.0
[M+H-H2O]+ 195.186120 147.1
[M+HCOO]- 257.187061 173.6
[M+CH3COO]- 271.202711 192.8
[M+Na-2H]- 233.163526 155.5
[M]+ 212.18831142 148.4
[M]- 212.18940858 148.4
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.