CID 145869410

2-(but-3-yn-1-yl)-1-methylpyrrolidine

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CN1CCCC1CCC#C

InChI

InChI=1S/C9H15N/c1-3-4-6-9-7-5-8-10(9)2/h1,9H,4-8H2,2H3

InChIKey

IHIVJNMJUHAXMI-UHFFFAOYSA-N

Compound name

2-but-3-ynyl-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 1.8
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]+	138.12773	128.5
[M+Na]+	160.10967	137.5
[M-H]-	136.11317	128.9
[M+NH4]+	155.15427	148.4
[M+K]+	176.08361	134.2
[M+H-H2O]+	120.11771	116.4
[M+HCOO]-	182.11865	144.2
[M+CH3COO]-	196.13430	183.3
[M+Na-2H]-	158.09512	131.4
[M]+	137.11990	121.4
[M]-	137.12100	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.