CID 13371157

92956-69-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.206376	173.7
[M+Na]+	316.188318	178.3
[M-H]-	292.191824	174.1
[M+NH4]+	311.232923	186.6
[M+K]+	332.162258	173.1
[M+H-H2O]+	276.196360	160.5
[M+HCOO]-	338.197301	181.4
[M+CH3COO]-	352.212951	203.3
[M+Na-2H]-	314.173766	171.0
[M]+	293.19855142	163.2
[M]-	293.19964858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.