CID 3064940

4-piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CN1CCC(CC1)(C#CC=C)O

InChI

InChI=1S/C10H15NO/c1-3-4-5-10(12)6-8-11(2)9-7-10/h3,12H,1,6-9H2,2H3

InChIKey

SIUPJEMQKZIRCO-UHFFFAOYSA-N

Compound name

4-but-3-en-1-ynyl-1-methylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.11537 Da
Monoisotopic Mass: 1.0
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]+	166.12265	136.5
[M+Na]+	188.10459	145.4
[M-H]-	164.10809	136.1
[M+NH4]+	183.14919	155.1
[M+K]+	204.07853	140.7
[M+H-H2O]+	148.11263	125.5
[M+HCOO]-	210.11357	149.2
[M+CH3COO]-	224.12922	183.1
[M+Na-2H]-	186.09004	140.7
[M]+	165.11482	127.1
[M]-	165.11592	127.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.