CID 119789

6-methoxy-3,3-dimethylindan-5-ol

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC1(CCC2=CC(=C(C=C21)O)OC)C

InChI

InChI=1S/C12H16O2/c1-12(2)5-4-8-6-11(14-3)10(13)7-9(8)12/h6-7,13H,4-5H2,1-3H3

InChIKey

MMDXUGGZAWDJTD-UHFFFAOYSA-N

Compound name

6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.11504 Da
Monoisotopic Mass: 3.2
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]+	193.12232	140.9
[M+Na]+	215.10426	150.8
[M-H]-	191.10776	145.0
[M+NH4]+	210.14886	165.5
[M+K]+	231.07820	147.9
[M+H-H2O]+	175.11230	136.9
[M+HCOO]-	237.11324	162.7
[M+CH3COO]-	251.12889	182.5
[M+Na-2H]-	213.08971	146.1
[M]+	192.11449	142.6
[M]-	192.11559	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe