CID 6453051

54661-54-0

Structural Information

Molecular Formula
C30H42O2
SMILES
CC(C)C(C1=CC2=C(C=C1O)C(CC2(C)C)(C)C)C3=CC4=C(C=C3O)C(CC4(C)C)(C)C
InChI
InChI=1S/C30H42O2/c1-17(2)26(18-11-20-22(13-24(18)31)29(7,8)15-27(20,3)4)19-12-21-23(14-25(19)32)30(9,10)16-28(21,5)6/h11-14,17,26,31-32H,15-16H2,1-10H3
InChIKey
WMMXUIUYZSIYCT-UHFFFAOYSA-N
Compound name
6-[1-(6-hydroxy-1,1,3,3-tetramethyl-2H-inden-5-yl)-2-methylpropyl]-1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.31848 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.325756 203.0
[M+Na]+ 457.307698 213.1
[M-H]- 433.311204 210.0
[M+NH4]+ 452.352303 226.3
[M+K]+ 473.281638 206.3
[M+H-H2O]+ 417.315740 199.6
[M+HCOO]- 479.316681 215.2
[M+CH3COO]- 493.332331 234.3
[M+Na-2H]- 455.293146 199.0
[M]+ 434.31793142 206.8
[M]- 434.31902858 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.