CID 87253603

3-(prop-2-yn-1-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C#CCC1CCNC1

InChI

InChI=1S/C7H11N/c1-2-3-7-4-5-8-6-7/h1,7-8H,3-6H2

InChIKey

XFVRONUUXBJNFI-UHFFFAOYSA-N

Compound name

3-prop-2-ynylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 109.08915 Da
Monoisotopic Mass: 0.8
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]+	110.09643	123.0
[M+Na]+	132.07837	131.6
[M-H]-	108.08187	122.1
[M+NH4]+	127.12297	142.9
[M+K]+	148.05231	127.9
[M+H-H2O]+	92.086410	111.1
[M+HCOO]-	154.08735	137.9
[M+CH3COO]-	168.10300	174.5
[M+Na-2H]-	130.06382	126.9
[M]+	109.08860	113.2
[M]-	109.08970	113.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe