CID 13332795

94769-53-6

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]+ 298.180156 173.2
[M+Na]+ 320.162098 180.5
[M-H]- 296.165604 175.1
[M+NH4]+ 315.206703 186.8
[M+K]+ 336.136038 173.1
[M+H-H2O]+ 280.170140 159.1
[M+HCOO]- 342.171081 185.0
[M+CH3COO]- 356.186731 206.9
[M+Na-2H]- 318.147546 174.0
[M]+ 297.17233142 165.6
[M]- 297.17342858 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.