CID 3048605

4-piperidinol, 1-butyl-4-(2-pyridyl)-, propionate, dihydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCN1CCC(CC1)(C2=CC=CC=N2)OC(=O)CC
InChI
InChI=1S/C17H26N2O2/c1-3-5-12-19-13-9-17(10-14-19,21-16(20)4-2)15-8-6-7-11-18-15/h6-8,11H,3-5,9-10,12-14H2,1-2H3
InChIKey
BJIMKYXIKIYOLU-UHFFFAOYSA-N
Compound name
(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.1
[M+Na]+ 313.188648 176.1
[M-H]- 289.192154 174.5
[M+NH4]+ 308.233253 186.3
[M+K]+ 329.162588 173.2
[M+H-H2O]+ 273.196690 162.7
[M+HCOO]- 335.197631 188.1
[M+CH3COO]- 349.213281 201.4
[M+Na-2H]- 311.174096 174.7
[M]+ 290.19888142 171.0
[M]- 290.19997858 171.0
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.