CID 205337

Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCOCC3

InChI

InChI=1S/C20H25NO3/c22-19(24-15-7-6-12-21-13-16-23-17-14-21)20(10-4-5-11-20)18-8-2-1-3-9-18/h1-3,8-9H,4-5,10-17H2

InChIKey

SAPNBXVOTFDVIZ-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 327.18344 Da
Monoisotopic Mass: 2.9
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]+	328.190716	178.7
[M+Na]+	350.172658	184.3
[M-H]-	326.176164	182.6
[M+NH4]+	345.217263	190.6
[M+K]+	366.146598	177.3
[M+H-H2O]+	310.180700	163.4
[M+HCOO]-	372.181641	188.6
[M+CH3COO]-	386.197291	208.1
[M+Na-2H]-	348.158106	178.0
[M]+	327.18289142	169.1
[M]-	327.18398858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe