CID 11137616

196597-78-1

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C1CC(=O)C2=C1C=CC3=C2CCO3

InChI

InChI=1S/C11H10O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4H,1,3,5-6H2

InChIKey

ZZUIZMWFNOKNLN-UHFFFAOYSA-N

Compound name

1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 174.06808 Da
Monoisotopic Mass: 1.7
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

literature stripe

Patent stripe

patents stripe