CID 104573

53718-34-6

Structural Information

Molecular Formula

C₂₀H₃₀O

SMILES

CC1(CC2(CCCCC2)C3=CC(=C(C=C31)O)C(C)(C)C)C

InChI

InChI=1S/C20H30O/c1-18(2,3)16-11-15-14(12-17(16)21)19(4,5)13-20(15)9-7-6-8-10-20/h11-12,21H,6-10,13H2,1-5H3

InChIKey

CQDLYCCFORGHSV-UHFFFAOYSA-N

Compound name

6-tert-butyl-3,3-dimethylspiro[2H-indene-1,1'-cyclohexane]-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.22968 Da
Monoisotopic Mass: 7.2
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]+	287.236956	172.5
[M+Na]+	309.218898	179.5
[M-H]-	285.222404	177.5
[M+NH4]+	304.263503	195.5
[M+K]+	325.192838	174.5
[M+H-H2O]+	269.226940	167.6
[M+HCOO]-	331.227881	186.7
[M+CH3COO]-	345.243531	201.1
[M+Na-2H]-	307.204346	175.0
[M]+	286.22913142	169.1
[M]-	286.23022858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe