CID 380377

102206-64-4

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
2
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]+ 289.154676 169.4
[M+Na]+ 311.136618 175.5
[M-H]- 287.140124 168.6
[M+NH4]+ 306.181223 179.2
[M+K]+ 327.110558 170.5
[M+H-H2O]+ 271.144660 154.6
[M+HCOO]- 333.145601 177.7
[M+CH3COO]- 347.161251 203.1
[M+Na-2H]- 309.122066 170.8
[M]+ 288.14685142 160.5
[M]- 288.14794858 160.5
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.