CID 3048595

4-piperidinol, 1-butyl-4-(3-pyridyl)-, acetate, dihydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCCN1CCC(CC1)(C2=CN=CC=C2)OC(=O)C
InChI
InChI=1S/C16H24N2O2/c1-3-4-10-18-11-7-16(8-12-18,20-14(2)19)15-6-5-9-17-13-15/h5-6,9,13H,3-4,7-8,10-12H2,1-2H3
InChIKey
SPPGMBWHQUFGED-UHFFFAOYSA-N
Compound name
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.7
[M+Na]+ 299.172998 172.1
[M-H]- 275.176504 170.3
[M+NH4]+ 294.217603 182.5
[M+K]+ 315.146938 169.4
[M+H-H2O]+ 259.181040 158.5
[M+HCOO]- 321.181981 184.0
[M+CH3COO]- 335.197631 198.4
[M+Na-2H]- 297.158446 170.9
[M]+ 276.18323142 166.3
[M]- 276.18432858 166.3
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.