CID 118161

34380-66-0

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)O)(C)C

InChI

InChI=1S/C14H20O/c1-9-13(2,3)11-7-6-10(15)8-12(11)14(9,4)5/h6-9,15H,1-5H3

InChIKey

OAZWKUSHEIWQKO-UHFFFAOYSA-N

Compound name

1,1,2,3,3-pentamethyl-2H-inden-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 204.15141 Da
Monoisotopic Mass: 4.4
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]+	205.158686	143.6
[M+Na]+	227.140628	154.6
[M-H]-	203.144134	148.1
[M+NH4]+	222.185233	170.2
[M+K]+	243.114568	150.9
[M+H-H2O]+	187.148670	140.5
[M+HCOO]-	249.149611	164.5
[M+CH3COO]-	263.165261	187.4
[M+Na-2H]-	225.126076	148.4
[M]+	204.15086142	145.3
[M]-	204.15195858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe