CID 20560368

2-acetyl-1-furfurylpyrrole

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC(=O)C1=CC=CN1CC2=CC=CO2

InChI

InChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3

InChIKey

AYCBWOMKZDMMQR-UHFFFAOYSA-N

Compound name

1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 189.07898 Da
Monoisotopic Mass: 1.4
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]+	190.08626	138.9
[M+Na]+	212.06820	151.6
[M+NH4]+	207.11280	147.0
[M+K]+	228.04214	149.7
[M-H]-	188.07170	142.5
[M+Na-2H]-	210.05365	146.0
[M]+	189.07843	141.7
[M]-	189.07953	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe