CID 112064

10527-11-4

Structural Information

Molecular Formula

C₁₈H₂₀O₂

SMILES

CC1(CC(C2=C1C=CC(=C2)O)(C)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C18H20O2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10,19-20H,11H2,1-3H3

InChIKey

TUJHKTMBIVIOOV-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1241
Patents: 268.14633 Da
Monoisotopic Mass: 4.9
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]+	269.15361	161.4
[M+Na]+	291.13555	175.3
[M+NH4]+	286.18015	173.5
[M+K]+	307.10949	165.8
[M-H]-	267.13905	165.7
[M+Na-2H]-	289.12100	170.9
[M]+	268.14578	165.1
[M]-	268.14688	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe