CID 586690

Ethyl 3-(pyrrolidin-1-yl)but-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)C=C(C)N1CCCC1

InChI

InChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3

InChIKey

MSOQKPXSIHLODG-UHFFFAOYSA-N

Compound name

ethyl 3-pyrrolidin-1-ylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 183.12593 Da
Monoisotopic Mass: 1.7
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]+	184.13321	144.5
[M+Na]+	206.11515	152.6
[M+NH4]+	201.15975	151.3
[M+K]+	222.08909	149.6
[M-H]-	182.11865	143.7
[M+Na-2H]-	204.10060	146.8
[M]+	183.12538	144.9
[M]-	183.12648	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe