CID 53893251

2309462-10-8

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CN1CCCC1C#C

InChI

InChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h1,7H,4-6H2,2H3

InChIKey

HRYWNBGSIQAWKD-UHFFFAOYSA-N

Compound name

2-ethynyl-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 109.08915 Da
Monoisotopic Mass: 0.9
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]+	110.096426	120.5
[M+Na]+	132.078368	130.3
[M-H]-	108.081874	121.2
[M+NH4]+	127.122973	141.4
[M+K]+	148.052308	127.5
[M+H-H2O]+	92.086410	108.7
[M+HCOO]-	154.087351	136.8
[M+CH3COO]-	168.103001	177.9
[M+Na-2H]-	130.063816	124.4
[M]+	109.08860142	112.8
[M]-	109.08969858	112.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe