CID 21963858

3-ethynylpiperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C#CC1CCCNC1

InChI

InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h1,7-8H,3-6H2

InChIKey

PJNBXBSBAMXYKY-UHFFFAOYSA-N

Compound name

3-ethynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 109.08915 Da
Monoisotopic Mass: 0.7
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]+	110.09643	121.9
[M+Na]+	132.07837	129.6
[M-H]-	108.08187	120.9
[M+NH4]+	127.12297	140.2
[M+K]+	148.05231	126.0
[M+H-H2O]+	92.086410	110.3
[M+HCOO]-	154.08735	134.9
[M+CH3COO]-	168.10300	174.6
[M+Na-2H]-	130.06382	127.2
[M]+	109.08860	110.3
[M]-	109.08970	110.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe