CID 10080940

5-methoxy-2,3-dihydro-1-benzofuran-4-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=C(C2=C(C=C1)OCC2)C=O

InChI

InChI=1S/C10H10O3/c1-12-9-2-3-10-7(4-5-13-10)8(9)6-11/h2-3,6H,4-5H2,1H3

InChIKey

CIJTYVNAGPHTGD-UHFFFAOYSA-N

Compound name

5-methoxy-2,3-dihydro-1-benzofuran-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 178.06299 Da
Monoisotopic Mass: 1.4
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]+	179.070266	133.5
[M+Na]+	201.052208	143.0
[M-H]-	177.055714	139.1
[M+NH4]+	196.096813	155.5
[M+K]+	217.026148	142.3
[M+H-H2O]+	161.060250	128.6
[M+HCOO]-	223.061191	156.9
[M+CH3COO]-	237.076841	179.5
[M+Na-2H]-	199.037656	140.6
[M]+	178.06244142	136.9
[M]-	178.06353858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe