CID 3050563

1-(2-ethyl-1-butenyl)-pyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CCC(=CN1CCCC1)CC

InChI

InChI=1S/C10H19N/c1-3-10(4-2)9-11-7-5-6-8-11/h9H,3-8H2,1-2H3

InChIKey

NMCUYNPUEJQBIW-UHFFFAOYSA-N

Compound name

1-(2-ethylbut-1-enyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 153.15175 Da
Monoisotopic Mass: 3.2
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]+	154.15903	139.1
[M+Na]+	176.14097	144.0
[M-H]-	152.14447	140.2
[M+NH4]+	171.18557	160.5
[M+K]+	192.11491	142.5
[M+H-H2O]+	136.14901	132.7
[M+HCOO]-	198.14995	159.0
[M+CH3COO]-	212.16560	177.3
[M+Na-2H]-	174.12642	141.0
[M]+	153.15120	136.2
[M]-	153.15230	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe