CID 3048576

Nu-1108

Structural Information

Molecular Formula
C17H31NO2
SMILES
CCCCN1CCC(CC1)(C2CCCCC2)OC(=O)C
InChI
InChI=1S/C17H31NO2/c1-3-4-12-18-13-10-17(11-14-18,20-15(2)19)16-8-6-5-7-9-16/h16H,3-14H2,1-2H3
InChIKey
QLIUQTZZXCNKJS-UHFFFAOYSA-N
Compound name
(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.242746 172.9
[M+Na]+ 304.224688 173.8
[M-H]- 280.228194 175.6
[M+NH4]+ 299.269293 188.6
[M+K]+ 320.198628 171.7
[M+H-H2O]+ 264.232730 164.6
[M+HCOO]- 326.233671 185.8
[M+CH3COO]- 340.249321 199.9
[M+Na-2H]- 302.210136 172.4
[M]+ 281.23492142 167.0
[M]- 281.23601858 167.0
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.