CID 14505

2-acetylfuran

Structural Information

Molecular Formula

C₆H₆O₂

SMILES

CC(=O)C1=CC=CO1

InChI

InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey

IEMMBWWQXVXBEU-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 58
References: 7270
Patents: 110.03678 Da
Monoisotopic Mass: 0.5
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]+	111.04406	118.6
[M+Na]+	133.02600	130.4
[M+NH4]+	128.07060	127.4
[M+K]+	148.99994	127.3
[M-H]-	109.02950	121.1
[M+Na-2H]-	131.01145	124.4
[M]+	110.03623	120.9
[M]-	110.03733	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe