CID 23301504

290820-96-1

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1CCC2=C(C1)C=C(O2)C=O

InChI

InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h5-6H,1-4H2

InChIKey

AZYRDEJIKZNOMB-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1-benzofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 150.06808 Da
Monoisotopic Mass: 2.0
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]+	151.075356	127.8
[M+Na]+	173.057298	135.9
[M-H]-	149.060804	132.9
[M+NH4]+	168.101903	150.7
[M+K]+	189.031238	135.1
[M+H-H2O]+	133.065340	123.1
[M+HCOO]-	195.066281	150.0
[M+CH3COO]-	209.081931	173.7
[M+Na-2H]-	171.042746	135.1
[M]+	150.06753142	127.6
[M]-	150.06862858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe