CID 3048578

4-piperidinol, 1-butyl-4-cyclohexyl-, butyrate, hydrochloride

Structural Information

Molecular Formula
C19H35NO2
SMILES
CCCCN1CCC(CC1)(C2CCCCC2)OC(=O)CCC
InChI
InChI=1S/C19H35NO2/c1-3-5-14-20-15-12-19(13-16-20,22-18(21)9-4-2)17-10-7-6-8-11-17/h17H,3-16H2,1-2H3
InChIKey
VAEIZZDBUGIJNF-UHFFFAOYSA-N
Compound name
(1-butyl-4-cyclohexylpiperidin-4-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.27406 181.6
[M+Na]+ 332.25600 181.6
[M-H]- 308.25950 183.9
[M+NH4]+ 327.30060 196.2
[M+K]+ 348.22994 179.0
[M+H-H2O]+ 292.26404 172.9
[M+HCOO]- 354.26498 193.8
[M+CH3COO]- 368.28063 205.9
[M+Na-2H]- 330.24145 180.0
[M]+ 309.26623 176.4
[M]- 309.26733 176.4
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.