CID 119674

27606-09-3

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CC1C2CC3=CC=CC=C3C2OC(O1)C

InChI

InChI=1S/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H3

InChIKey

SHWFPOIJJLMZKA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1744
Patents: 204.11504 Da
Monoisotopic Mass: 2.5
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]+	205.12232	142.9
[M+Na]+	227.10426	156.3
[M+NH4]+	222.14886	153.4
[M+K]+	243.07820	151.4
[M-H]-	203.10776	149.0
[M+Na-2H]-	225.08971	146.5
[M]+	204.11449	146.7
[M]-	204.11559	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe