CID 104575

53718-37-9

Structural Information

Molecular Formula

C₂₀H₃₀O

SMILES

CC1(CC(C2=C3C(=C(C=C21)O)C(CC3(C)C)(C)C)(C)C)C

InChI

InChI=1S/C20H30O/c1-17(2)10-18(3,4)14-12(17)9-13(21)15-16(14)20(7,8)11-19(15,5)6/h9,21H,10-11H2,1-8H3

InChIKey

QZWNGYFKEJRJAG-UHFFFAOYSA-N

Compound name

1,1,3,3,6,6,8,8-octamethyl-2,7-dihydro-as-indacen-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.22968 Da
Monoisotopic Mass: 6.7
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	162.4
[M+Na]+	309.218898	175.1
[M-H]-	285.222404	168.2
[M+NH4]+	304.263503	192.6
[M+K]+	325.192838	169.2
[M+H-H2O]+	269.226940	160.5
[M+HCOO]-	331.227881	180.3
[M+CH3COO]-	345.243531	205.7
[M+Na-2H]-	307.204346	165.2
[M]+	286.22913142	166.1
[M]-	286.23022858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe