CID 11041080

Fema no. 4868

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=CCCC1=CC(=O)OC1)C

InChI

InChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,6H,3,5,7H2,1-2H3

InChIKey

RIHKUHPWQQLZLG-UHFFFAOYSA-N

Compound name

3-(4-methylpent-3-enyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 19
Patents: 166.09938 Da
Monoisotopic Mass: 2.0
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]+	167.10666	136.8
[M+Na]+	189.08860	144.0
[M-H]-	165.09210	140.8
[M+NH4]+	184.13320	158.0
[M+K]+	205.06254	143.5
[M+H-H2O]+	149.09664	131.8
[M+HCOO]-	211.09758	159.2
[M+CH3COO]-	225.11323	178.3
[M+Na-2H]-	187.07405	140.3
[M]+	166.09883	138.0
[M]-	166.09993	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe