CID 56497

92956-04-2

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC#CC(C1=CC=CC=C1)(C(=O)OC2CCCN(C2)C)O
InChI
InChI=1S/C17H21NO3/c1-3-11-17(20,14-8-5-4-6-9-14)16(19)21-15-10-7-12-18(2)13-15/h4-6,8-9,15,20H,7,10,12-13H2,1-2H3
InChIKey
VJUIYPDYTKCPSJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 169.5
[M+Na]+ 310.14135 179.6
[M+NH4]+ 305.18595 172.4
[M+K]+ 326.11529 171.1
[M-H]- 286.14485 162.8
[M+Na-2H]- 308.12680 171.5
[M]+ 287.15158 168.1
[M]- 287.15268 168.1
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.