CID 64087917

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

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C#CCCC1CCCN1

InChI

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

InChIKey

XWROMASYPDTXKM-UHFFFAOYSA-N

Compound name

2-but-3-ynylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 123.1048 Da
Monoisotopic Mass: 1.3
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]+	124.11208	129.3
[M+Na]+	146.09402	139.0
[M+NH4]+	141.13862	134.3
[M+K]+	162.06796	131.4
[M-H]-	122.09752	121.9
[M+Na-2H]-	144.07947	130.8
[M]+	123.10425	127.5
[M]-	123.10535	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe