CID 13332795

1-(4-penten-2-ynyl)-4-phenyl-4-piperidinol propanoate (ester) hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC#CC=C)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-3-5-9-14-20-15-12-19(13-16-20,22-18(21)4-2)17-10-7-6-8-11-17/h3,6-8,10-11H,1,4,12-16H2,2H3
InChIKey
ZDHLUNBFXKPDSM-UHFFFAOYSA-N
Compound name
(1-pent-4-en-2-ynyl-4-phenylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.2
[M+Na]+ 320.16210 180.5
[M-H]- 296.16560 175.1
[M+NH4]+ 315.20670 186.8
[M+K]+ 336.13604 173.1
[M+H-H2O]+ 280.17014 159.1
[M+HCOO]- 342.17108 185.0
[M+CH3COO]- 356.18673 206.9
[M+Na-2H]- 318.14755 174.0
[M]+ 297.17233 165.6
[M]- 297.17343 165.6
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.