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]+ 305.22238 176.5
[M+Na]+ 327.20432 180.0
[M-H]- 303.20782 178.7
[M+NH4]+ 322.24892 190.1
[M+K]+ 343.17826 176.9
[M+H-H2O]+ 287.21236 166.8
[M+HCOO]- 349.21330 192.1
[M+CH3COO]- 363.22895 204.4
[M+Na-2H]- 325.18977 178.6
[M]+ 304.21455 175.7
[M]- 304.21565 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.