CID 66963592

Chebi:177980

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1C(C=C2C1(C=CCC2(C)C)C)O

InChI

InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3

InChIKey

MHUYBIUXLMLCJM-UHFFFAOYSA-N

Compound name

1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 32
Patents: 192.15141 Da
Monoisotopic Mass: 2.9
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]+	193.15869	142.4
[M+Na]+	215.14063	151.9
[M-H]-	191.14413	146.3
[M+NH4]+	210.18523	169.1
[M+K]+	231.11457	148.5
[M+H-H2O]+	175.14867	139.1
[M+HCOO]-	237.14961	162.2
[M+CH3COO]-	251.16526	183.6
[M+Na-2H]-	213.12608	147.2
[M]+	192.15086	141.8
[M]-	192.15196	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe