CID 12259572

14053-12-4

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

C1CCN(C1)CC#CCN

InChI

InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h3-9H2

InChIKey

JSKHCXNCPDYNFH-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbut-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 138.11569 Da
Monoisotopic Mass: -0.1
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]+	139.12297	130.9
[M+Na]+	161.10491	138.6
[M-H]-	137.10841	130.5
[M+NH4]+	156.14951	149.9
[M+K]+	177.07885	135.3
[M+H-H2O]+	121.11295	118.1
[M+HCOO]-	183.11389	147.1
[M+CH3COO]-	197.12954	182.0
[M+Na-2H]-	159.09036	134.0
[M]+	138.11514	121.3
[M]-	138.11624	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe