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]+ 227.21179 157.6
[M+Na]+ 249.19373 158.9
[M-H]- 225.19723 159.7
[M+NH4]+ 244.23833 175.0
[M+K]+ 265.16767 158.1
[M+H-H2O]+ 209.20177 151.4
[M+HCOO]- 271.20271 175.4
[M+CH3COO]- 285.21836 195.5
[M+Na-2H]- 247.17918 159.6
[M]+ 226.20396 151.9
[M]- 226.20506 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.