CID 3048603

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

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCN1CCC(CC1)(CC2=CC=CC=N2)OC(=O)CC
InChI
InChI=1S/C18H28N2O2/c1-3-5-12-20-13-9-18(10-14-20,22-17(21)4-2)15-16-8-6-7-11-19-16/h6-8,11H,3-5,9-10,12-15H2,1-2H3
InChIKey
JDNBTBFTAXGBDR-UHFFFAOYSA-N
Compound name
[1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.5
[M+Na]+ 327.204318 180.0
[M-H]- 303.207824 178.7
[M+NH4]+ 322.248923 190.1
[M+K]+ 343.178258 176.9
[M+H-H2O]+ 287.212360 166.8
[M+HCOO]- 349.213301 192.1
[M+CH3COO]- 363.228951 204.4
[M+Na-2H]- 325.189766 178.6
[M]+ 304.21455142 175.7
[M]- 304.21564858 175.7
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.