CID 3048597

4-piperidinol, 1-butyl-4-(3-pyridyl)-, butyrate, dihydrochloride

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCN1CCC(CC1)(C2=CN=CC=C2)OC(=O)CCC
InChI
InChI=1S/C18H28N2O2/c1-3-5-12-20-13-9-18(10-14-20,22-17(21)7-4-2)16-8-6-11-19-15-16/h6,8,11,15H,3-5,7,9-10,12-14H2,1-2H3
InChIKey
BIJWEPGOWDTSIB-UHFFFAOYSA-N
Compound name
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 177.0
[M+Na]+ 327.20432 188.2
[M+NH4]+ 322.24892 185.1
[M+K]+ 343.17826 178.9
[M-H]- 303.20782 179.3
[M+Na-2H]- 325.18977 184.0
[M]+ 304.21455 179.3
[M]- 304.21565 179.3
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.