CID 555644

2-(2-furanyl)-3-methyl-2-butenal

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC(=C(C=O)C1=CC=CO1)C

InChI

InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3

InChIKey

JWRBBXQUYVJOLN-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-3-methylbut-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.06808 Da
Monoisotopic Mass: 1.9
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]+	151.07536	131.4
[M+Na]+	173.05730	139.0
[M-H]-	149.06080	135.8
[M+NH4]+	168.10190	153.0
[M+K]+	189.03124	138.9
[M+H-H2O]+	133.06534	126.5
[M+HCOO]-	195.06628	154.7
[M+CH3COO]-	209.08193	174.6
[M+Na-2H]-	171.04275	135.9
[M]+	150.06753	132.8
[M]-	150.06863	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe