CID 10678534

40724-03-6

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

CC1=CC2=C(C=C1)OC(=C2)C=O

InChI

InChI=1S/C10H8O2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-6H,1H3

InChIKey

WPUWQBYGLWXSRS-UHFFFAOYSA-N

Compound name

5-methyl-1-benzofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 160.05243 Da
Monoisotopic Mass: 2.5
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]+	161.05971	128.3
[M+Na]+	183.04165	143.3
[M+NH4]+	178.08625	138.0
[M+K]+	199.01559	138.2
[M-H]-	159.04515	132.4
[M+Na-2H]-	181.02710	135.5
[M]+	160.05188	131.7
[M]-	160.05298	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe