CID 250707

1-(3-butenyl)pyrrolidine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C=CCCN1CCCC1

InChI

InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h2H,1,3-8H2

InChIKey

FOUQITQNYKZCHC-UHFFFAOYSA-N

Compound name

1-but-3-enylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 125.12045 Da
Monoisotopic Mass: 1.9
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]+	126.127726	129.1
[M+Na]+	148.109668	135.0
[M-H]-	124.113174	130.4
[M+NH4]+	143.154273	151.5
[M+K]+	164.083608	133.6
[M+H-H2O]+	108.117710	122.9
[M+HCOO]-	170.118651	150.6
[M+CH3COO]-	184.134301	171.1
[M+Na-2H]-	146.095116	133.3
[M]+	125.11990142	126.2
[M]-	125.12099858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe