CID 64087917

2408966-13-0

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: 155
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	126.9
[M+Na]+	146.09402	135.1
[M-H]-	122.09752	125.9
[M+NH4]+	141.13862	146.3
[M+K]+	162.06796	131.2
[M+H-H2O]+	106.10206	114.8
[M+HCOO]-	168.10300	141.5
[M+CH3COO]-	182.11865	177.2
[M+Na-2H]-	144.07947	130.3
[M]+	123.10425	117.5
[M]-	123.10535	117.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe