CID 3048584

Piperidinol, 1-butyl-4-(2-furyl)-, propionate, hydrochloride

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCN1CCC(CC1)(C2=CC=CO2)OC(=O)CC
InChI
InChI=1S/C16H25NO3/c1-3-5-10-17-11-8-16(9-12-17,20-15(18)4-2)14-7-6-13-19-14/h6-7,13H,3-5,8-12H2,1-2H3
InChIKey
OLOJKUMOZNFNKZ-UHFFFAOYSA-N
Compound name
[1-butyl-4-(furan-2-yl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 167.6
[M+Na]+ 302.172658 172.1
[M-H]- 278.176164 172.5
[M+NH4]+ 297.217263 184.4
[M+K]+ 318.146598 171.1
[M+H-H2O]+ 262.180700 160.3
[M+HCOO]- 324.181641 185.4
[M+CH3COO]- 338.197291 197.7
[M+Na-2H]- 300.158106 169.2
[M]+ 279.18289142 168.6
[M]- 279.18398858 168.6
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.