CID 82363312

1-(pent-4-yn-1-yl)pyrrolidine

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CCCCN1CCCC1

InChI

InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h1H,3-9H2

InChIKey

SCSMBLBDVCTRLK-UHFFFAOYSA-N

Compound name

1-pent-4-ynylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 137.12045 Da
Monoisotopic Mass: 1.7
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]+	138.127726	129.2
[M+Na]+	160.109668	137.4
[M-H]-	136.113174	129.1
[M+NH4]+	155.154273	148.7
[M+K]+	176.083608	134.0
[M+H-H2O]+	120.117710	116.6
[M+HCOO]-	182.118651	144.8
[M+CH3COO]-	196.134301	182.4
[M+Na-2H]-	158.095116	132.6
[M]+	137.11990142	121.7
[M]-	137.12099858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe