CID 13350948

95092-07-2

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C=CCCC1CCCN1

InChI

InChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h2,8-9H,1,3-7H2

InChIKey

QQRYNYNYNMYJOU-UHFFFAOYSA-N

Compound name

2-but-3-enylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 125.12045 Da
Monoisotopic Mass: 1.8
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]+	126.12773	129.9
[M+Na]+	148.10967	135.4
[M-H]-	124.11317	129.8
[M+NH4]+	143.15427	151.6
[M+K]+	164.08361	133.0
[M+H-H2O]+	108.11771	124.0
[M+HCOO]-	170.11865	149.9
[M+CH3COO]-	184.13430	168.3
[M+Na-2H]-	146.09512	133.7
[M]+	125.11990	125.1
[M]-	125.12100	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe