CID 198289

Pcmg

Structural Information

Molecular Formula

C₁₆H₂₅NO₃

SMILES

CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O

InChI

InChI=1S/C16H25NO3/c1-3-10-16(19,13-6-4-5-7-13)15(18)20-14-8-11-17(2)12-9-14/h13-14,19H,4-9,11-12H2,1-2H3

InChIKey

GKCPDYHGDHCIJL-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 279.18344 Da
Monoisotopic Mass: 2.5
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]+	280.190716	169.5
[M+Na]+	302.172658	174.4
[M-H]-	278.176164	170.0
[M+NH4]+	297.217263	182.8
[M+K]+	318.146598	169.4
[M+H-H2O]+	262.180700	156.4
[M+HCOO]-	324.181641	177.4
[M+CH3COO]-	338.197291	201.2
[M+Na-2H]-	300.158106	167.3
[M]+	279.18289142	158.8
[M]-	279.18398858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe