CID 586690

2723-42-4

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: 280
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	144.4
[M+Na]+	206.11515	149.4
[M-H]-	182.11865	145.7
[M+NH4]+	201.15975	164.4
[M+K]+	222.08909	148.6
[M+H-H2O]+	166.12319	137.9
[M+HCOO]-	228.12413	164.0
[M+CH3COO]-	242.13978	180.4
[M+Na-2H]-	204.10060	145.2
[M]+	183.12538	143.0
[M]-	183.12648	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe