CID 14514

2-acetyl-5-methylfuran

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

CC1=CC=C(O1)C(=O)C

InChI

InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChIKey

KEFJLCGVTHRGAH-UHFFFAOYSA-N

Compound name

1-(5-methylfuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 7
References: 1276
Patents: 124.05243 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]+	125.05971	122.5
[M+Na]+	147.04165	134.4
[M+NH4]+	142.08625	131.2
[M+K]+	163.01559	131.4
[M-H]-	123.04515	125.0
[M+Na-2H]-	145.02710	127.9
[M]+	124.05188	124.8
[M]-	124.05298	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe