CID 118114054

1788908-19-9

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

CC1(CCCNC1)C#C

InChI

InChI=1S/C8H13N/c1-3-8(2)5-4-6-9-7-8/h1,9H,4-7H2,2H3

InChIKey

BKFGVPSCQSYSHU-UHFFFAOYSA-N

Compound name

3-ethynyl-3-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 123.1048 Da
Monoisotopic Mass: 1.2
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]+	124.112076	126.6
[M+Na]+	146.094018	135.0
[M-H]-	122.097524	126.0
[M+NH4]+	141.138623	146.3
[M+K]+	162.067958	130.7
[M+H-H2O]+	106.102060	115.6
[M+HCOO]-	168.103001	139.4
[M+CH3COO]-	182.118651	176.9
[M+Na-2H]-	144.079466	132.3
[M]+	123.10425142	115.6
[M]-	123.10534858	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe