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]+ 213.19614 154.0
[M+Na]+ 235.17808 155.1
[M-H]- 211.18158 155.9
[M+NH4]+ 230.22268 171.6
[M+K]+ 251.15202 154.0
[M+H-H2O]+ 195.18612 147.1
[M+HCOO]- 257.18706 173.6
[M+CH3COO]- 271.20271 192.8
[M+Na-2H]- 233.16353 155.5
[M]+ 212.18831 148.4
[M]- 212.18941 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.