CID 86704

18338-88-0

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

CCCC=C1C=CC(=O)O1

InChI

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

InChIKey

PZXBJHQMLTXRDW-UHFFFAOYSA-N

Compound name

5-butylidenefuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.06808 Da
Monoisotopic Mass: 2.1
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]+	139.075356	126.6
[M+Na]+	161.057298	135.0
[M-H]-	137.060804	131.0
[M+NH4]+	156.101903	149.1
[M+K]+	177.031238	134.6
[M+H-H2O]+	121.065340	122.1
[M+HCOO]-	183.066281	150.8
[M+CH3COO]-	197.081931	171.4
[M+Na-2H]-	159.042746	132.6
[M]+	138.06753142	127.9
[M]-	138.06862858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe