CID 198946

2-(4-methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate

Structural Information

Molecular Formula
C20H36N2O2
SMILES
CN1CCN(CC1)CCOC(=O)C2(CCCCC2)C3CCCCC3
InChI
InChI=1S/C20H36N2O2/c1-21-12-14-22(15-13-21)16-17-24-19(23)20(10-6-3-7-11-20)18-8-4-2-5-9-18/h18H,2-17H2,1H3
InChIKey
GQXUKXKRYHPQDY-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl 1-cyclohexylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.27768 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.28496 188.8
[M+Na]+ 359.26690 186.4
[M-H]- 335.27040 191.7
[M+NH4]+ 354.31150 199.8
[M+K]+ 375.24084 183.5
[M+H-H2O]+ 319.27494 177.4
[M+HCOO]- 381.27588 196.1
[M+CH3COO]- 395.29153 208.7
[M+Na-2H]- 357.25235 185.7
[M]+ 336.27713 177.2
[M]- 336.27823 177.2
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.