CID 89423

21053-66-7

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

CCC=C1C=CC(=O)O1

InChI

InChI=1S/C7H8O2/c1-2-3-6-4-5-7(8)9-6/h3-5H,2H2,1H3

InChIKey

KPXZIOCGUHUFDR-UHFFFAOYSA-N

Compound name

5-propylidenefuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.05243 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]+	125.059706	121.9
[M+Na]+	147.041648	130.7
[M-H]-	123.045154	126.4
[M+NH4]+	142.086253	144.9
[M+K]+	163.015588	130.5
[M+H-H2O]+	107.049690	117.5
[M+HCOO]-	169.050631	146.3
[M+CH3COO]-	183.066281	168.4
[M+Na-2H]-	145.027096	128.4
[M]+	124.05188142	122.7
[M]-	124.05297858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe