CID 87453

18096-62-3

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1C2COCOC2C3=CC=CC=C31

InChI

InChI=1S/C11H12O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-4,9,11H,5-7H2

InChIKey

CZSXBBWOROMVEW-UHFFFAOYSA-N

Compound name

4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1841
Patents: 176.08372 Da
Monoisotopic Mass: 1.6
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]+	177.09100	134.6
[M+Na]+	199.07294	147.7
[M+NH4]+	194.11754	145.4
[M+K]+	215.04688	142.8
[M-H]-	175.07644	140.6
[M+Na-2H]-	197.05839	139.2
[M]+	176.08317	138.3
[M]-	176.08427	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe