CID 31663

23145-19-9

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

COC1=CC2=C(C=C1)OC(=C2)C=O

InChI

InChI=1S/C10H8O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3

InChIKey

OPAYERWEZXLSFC-UHFFFAOYSA-N

Compound name

5-methoxy-1-benzofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 103
Patents: 176.04735 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]+	177.054626	130.7
[M+Na]+	199.036568	142.4
[M-H]-	175.040074	137.2
[M+NH4]+	194.081173	153.2
[M+K]+	215.010508	141.4
[M+H-H2O]+	159.044610	125.9
[M+HCOO]-	221.045551	157.2
[M+CH3COO]-	235.061201	178.9
[M+Na-2H]-	197.022016	139.8
[M]+	176.04680142	137.1
[M]-	176.04789858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe