CID 45088893

550378-32-0

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C#CC1CCN(CC1)C(=O)CN

InChI

InChI=1S/C9H14N2O/c1-2-8-3-5-11(6-4-8)9(12)7-10/h1,8H,3-7,10H2

InChIKey

ZINCCDBIUQRQDX-UHFFFAOYSA-N

Compound name

2-amino-1-(4-ethynylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.11061 Da
Monoisotopic Mass: -0.3
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]+	167.11789	137.2
[M+Na]+	189.09983	144.3
[M-H]-	165.10333	136.8
[M+NH4]+	184.14443	153.5
[M+K]+	205.07377	141.3
[M+H-H2O]+	149.10787	124.7
[M+HCOO]-	211.10881	150.6
[M+CH3COO]-	225.12446	188.2
[M+Na-2H]-	187.08528	139.1
[M]+	166.11006	126.4
[M]-	166.11116	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe