CID 104567

1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

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

InChI

InChI=1S/C13H18O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h5-7,14H,8H2,1-4H3

InChIKey

OJCRKGPORQMMRN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 190.13577 Da
Monoisotopic Mass: 4.2
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]+	191.143046	140.6
[M+Na]+	213.124988	151.2
[M-H]-	189.128494	144.9
[M+NH4]+	208.169593	167.4
[M+K]+	229.098928	147.6
[M+H-H2O]+	173.133030	137.2
[M+HCOO]-	235.133971	161.9
[M+CH3COO]-	249.149621	183.2
[M+Na-2H]-	211.110436	146.4
[M]+	190.13522142	141.5
[M]-	190.13631858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe