CID 92838

Indene oxide

Structural Information

Molecular Formula

SMILES

C1C2C(O2)C3=CC=CC=C31

InChI

InChI=1S/C9H8O/c1-2-4-7-6(3-1)5-8-9(7)10-8/h1-4,8-9H,5H2

InChIKey

UKGCFMYYDATGNN-UHFFFAOYSA-N

Compound name

6,6a-dihydro-1aH-indeno[1,2-b]oxirene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 621
Patents: 132.05751 Da
Monoisotopic Mass: 1.5
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]+	133.06479	122.8
[M+Na]+	155.04673	134.7
[M-H]-	131.05023	130.2
[M+NH4]+	150.09133	142.7
[M+K]+	171.02067	132.6
[M+H-H2O]+	115.05477	117.8
[M+HCOO]-	177.05571	145.5
[M+CH3COO]-	191.07136	138.2
[M+Na-2H]-	153.03218	132.7
[M]+	132.05696	126.9
[M]-	132.05806	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe