CID 13371157

1-methyl-4-piperidyl cyclopentyl(1-butynyl)glycolate

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C17H27NO3/c1-3-4-11-17(20,14-7-5-6-8-14)16(19)21-15-9-12-18(2)13-10-15/h14-15,20H,3,5-10,12-13H2,1-2H3
InChIKey
NOJHANWXLFLOML-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxyhex-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 171.9
[M+Na]+ 316.18832 178.6
[M+NH4]+ 311.23292 174.4
[M+K]+ 332.16226 172.6
[M-H]- 292.19182 163.9
[M+Na-2H]- 314.17377 170.7
[M]+ 293.19855 169.4
[M]- 293.19965 169.4
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.