CID 380377

1-methyl-4-piperidyl 2-pyridyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC#CC(C1=CC=CC=N1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C16H20N2O3/c1-3-9-16(20,14-6-4-5-10-17-14)15(19)21-13-7-11-18(2)12-8-13/h4-6,10,13,20H,7-8,11-12H2,1-2H3
InChIKey
FRHRRFHZXFZKJA-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2-pyridin-2-ylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 169.7
[M+Na]+ 311.13662 179.7
[M+NH4]+ 306.18122 171.9
[M+K]+ 327.11056 171.6
[M-H]- 287.14012 162.2
[M+Na-2H]- 309.12207 171.4
[M]+ 288.14685 167.9
[M]- 288.14795 167.9
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.