CID 3064923

1-methyl-4-vinylethynyl-4-benzoyloxypiperidine hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN1CCC(CC1)(C#CC=C)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H19NO2/c1-3-4-10-17(11-13-18(2)14-12-17)20-16(19)15-8-6-5-7-9-15/h3,5-9H,1,11-14H2,2H3
InChIKey
MFVUWBRSWRPBJM-UHFFFAOYSA-N
Compound name
(4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 165.3
[M+Na]+ 292.13079 176.9
[M+NH4]+ 287.17539 170.3
[M+K]+ 308.10473 164.9
[M-H]- 268.13429 159.8
[M+Na-2H]- 290.11624 169.5
[M]+ 269.14102 164.6
[M]- 269.14212 164.6
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.