CID 15929269

86646-86-8

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC1CC2=C(O1)C(=C(C(=C2C)O)C)C

InChI

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

InChIKey

GPPLHUABFZEVNF-UHFFFAOYSA-N

Compound name

2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 192.11504 Da
Monoisotopic Mass: 3.1
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	140.6
[M+Na]+	215.10426	151.4
[M-H]-	191.10776	145.7
[M+NH4]+	210.14886	162.5
[M+K]+	231.07820	149.4
[M+H-H2O]+	175.11230	136.7
[M+HCOO]-	237.11324	161.4
[M+CH3COO]-	251.12889	185.4
[M+Na-2H]-	213.08971	144.2
[M]+	192.11449	143.3
[M]-	192.11559	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe