CID 4369851

303092-37-7

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCC(COC)NC(=O)NC1CCCCC1
InChI
InChI=1S/C12H24N2O2/c1-3-10(9-16-2)13-12(15)14-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKey
BKEOBCHPNHHALO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-methoxybutan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 156.6
[M+Na]+ 251.17300 157.7
[M-H]- 227.17650 158.4
[M+NH4]+ 246.21760 173.5
[M+K]+ 267.14694 157.1
[M+H-H2O]+ 211.18104 149.5
[M+HCOO]- 273.18198 176.5
[M+CH3COO]- 287.19763 194.9
[M+Na-2H]- 249.15845 158.3
[M]+ 228.18323 152.5
[M]- 228.18433 152.5
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.