CID 89319838

2241128-70-9

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CN1CCC(C1)C#C

InChI

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

InChIKey

IQJQQWRMLKQYIX-UHFFFAOYSA-N

Compound name

3-ethynyl-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 109.08915 Da
Monoisotopic Mass: 0.8
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	123.2
[M+Na]+	132.07837	134.0
[M+NH4]+	127.12297	128.7
[M+K]+	148.05231	126.5
[M-H]-	108.08187	116.4
[M+Na-2H]-	130.06382	125.4
[M]+	109.08860	121.9
[M]-	109.08970	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe