CID 93769

5-propylfuran-2(5h)-one

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCCC1C=CC(=O)O1

InChI

InChI=1S/C7H10O2/c1-2-3-6-4-5-7(8)9-6/h4-6H,2-3H2,1H3

InChIKey

CLCLZCBNFSGUOD-UHFFFAOYSA-N

Compound name

2-propyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 126.06808 Da
Monoisotopic Mass: 1.5
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]+	127.07536	124.1
[M+Na]+	149.05730	135.4
[M+NH4]+	144.10190	132.8
[M+K]+	165.03124	131.7
[M-H]-	125.06080	126.5
[M+Na-2H]-	147.04275	128.9
[M]+	126.06753	126.2
[M]-	126.06863	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe