CID 220944

Ethyl 2-(1h-pyrrol-2-yl)acetate

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC(=O)CC1=CC=CN1

InChI

InChI=1S/C8H11NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h3-5,9H,2,6H2,1H3

InChIKey

BSQHTIJMZDDKAZ-UHFFFAOYSA-N

Compound name

ethyl 2-(1H-pyrrol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 153.07898 Da
Monoisotopic Mass: 0.9
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]+	154.08626	133.1
[M+Na]+	176.06820	143.2
[M+NH4]+	171.11280	140.4
[M+K]+	192.04214	139.9
[M-H]-	152.07170	132.7
[M+Na-2H]-	174.05365	137.7
[M]+	153.07843	134.1
[M]-	153.07953	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe