CID 42978

Egomaketone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3,5-7H,4H2,1-2H3

InChIKey

MGIXHQSSTZKVOO-UHFFFAOYSA-N

Compound name

1-(furan-3-yl)-4-methylpent-3-en-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 14
Patents: 164.08372 Da
Monoisotopic Mass: 2.7
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]+	165.09100	136.3
[M+Na]+	187.07294	143.4
[M-H]-	163.07644	140.5
[M+NH4]+	182.11754	157.3
[M+K]+	203.04688	143.1
[M+H-H2O]+	147.08098	131.1
[M+HCOO]-	209.08192	159.2
[M+CH3COO]-	223.09757	177.7
[M+Na-2H]-	185.05839	140.2
[M]+	164.08317	138.0
[M]-	164.08427	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe