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]+ 282.24275 172.9
[M+Na]+ 304.22469 173.8
[M-H]- 280.22819 175.6
[M+NH4]+ 299.26929 188.6
[M+K]+ 320.19863 171.7
[M+H-H2O]+ 264.23273 164.6
[M+HCOO]- 326.23367 185.8
[M+CH3COO]- 340.24932 199.9
[M+Na-2H]- 302.21014 172.4
[M]+ 281.23492 167.0
[M]- 281.23602 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.