CID 24837247

93101-35-0

Structural Information

Molecular Formula

C₁₇H₂₅NO₃

SMILES

CC#CC(C1CCCC1)(C(=O)OC(C)C2=CCNCC2)O

InChI

InChI=1S/C17H25NO3/c1-3-10-17(20,15-6-4-5-7-15)16(19)21-13(2)14-8-11-18-12-9-14/h8,13,15,18,20H,4-7,9,11-12H2,1-2H3

InChIKey

YSPJTHUINWTOBL-UHFFFAOYSA-N

Compound name

1-(1,2,3,6-tetrahydropyridin-4-yl)ethyl 2-cyclopentyl-2-hydroxypent-3-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.18344 Da
Monoisotopic Mass: 2.0
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]+	292.190716	175.5
[M+Na]+	314.172658	179.3
[M-H]-	290.176164	174.5
[M+NH4]+	309.217263	187.3
[M+K]+	330.146598	173.7
[M+H-H2O]+	274.180700	162.2
[M+HCOO]-	336.181641	182.0
[M+CH3COO]-	350.197291	201.0
[M+Na-2H]-	312.158106	172.5
[M]+	291.18289142	163.6
[M]-	291.18398858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.