CID 3048601

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

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCCN1CCC(CC1)(CC2=CC=CC=N2)O
InChI
InChI=1S/C15H24N2O/c1-2-3-10-17-11-7-15(18,8-12-17)13-14-6-4-5-9-16-14/h4-6,9,18H,2-3,7-8,10-13H2,1H3
InChIKey
FOZYSRCIAKRNJE-UHFFFAOYSA-N
Compound name
1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.18886 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 161.6
[M+Na]+ 271.178078 166.1
[M-H]- 247.181584 162.9
[M+NH4]+ 266.222683 177.1
[M+K]+ 287.152018 162.2
[M+H-H2O]+ 231.186120 152.8
[M+HCOO]- 293.187061 177.4
[M+CH3COO]- 307.202711 191.5
[M+Na-2H]- 269.163526 166.0
[M]+ 248.18831142 157.9
[M]- 248.18940858 157.9
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

patents stripe