CID 4130671

6,7-dihydro-2h-indeno[5,6-b]furan-3(5h)-one

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C1CC2=CC3=C(C=C2C1)OCC3=O

InChI

InChI=1S/C11H10O2/c12-10-6-13-11-5-8-3-1-2-7(8)4-9(10)11/h4-5H,1-3,6H2

InChIKey

WCZAJCMJYBFDMG-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.06808 Da
Monoisotopic Mass: 2.3
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]+	175.075356	133.9
[M+Na]+	197.057298	143.4
[M-H]-	173.060804	140.4
[M+NH4]+	192.101903	158.8
[M+K]+	213.031238	141.5
[M+H-H2O]+	157.065340	130.0
[M+HCOO]-	219.066281	156.0
[M+CH3COO]-	233.081931	148.8
[M+Na-2H]-	195.042746	139.5
[M]+	174.06753142	134.4
[M]-	174.06862858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe