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

0
Patents

248.18886 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 161.6
[M+Na]+ 271.17808 166.1
[M-H]- 247.18158 162.9
[M+NH4]+ 266.22268 177.1
[M+K]+ 287.15202 162.2
[M+H-H2O]+ 231.18612 152.8
[M+HCOO]- 293.18706 177.4
[M+CH3COO]- 307.20271 191.5
[M+Na-2H]- 269.16353 166.0
[M]+ 248.18831 157.9
[M]- 248.18941 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