CID 82757

10599-69-6

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

CCC(=O)C1=CC=C(O1)C

InChI

InChI=1S/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3

InChIKey

BXLPZYAVKVFXEO-UHFFFAOYSA-N

Compound name

1-(5-methylfuran-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 174
Patents: 138.06808 Da
Monoisotopic Mass: 1.9
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]+	139.07536	127.1
[M+Na]+	161.05730	138.8
[M+NH4]+	156.10190	135.6
[M+K]+	177.03124	135.5
[M-H]-	137.06080	129.5
[M+Na-2H]-	159.04275	132.2
[M]+	138.06753	129.3
[M]-	138.06863	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe