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]+ 435.32576 203.0
[M+Na]+ 457.30770 213.1
[M-H]- 433.31120 210.0
[M+NH4]+ 452.35230 226.3
[M+K]+ 473.28164 206.3
[M+H-H2O]+ 417.31574 199.6
[M+HCOO]- 479.31668 215.2
[M+CH3COO]- 493.33233 234.3
[M+Na-2H]- 455.29315 199.0
[M]+ 434.31793 206.8
[M]- 434.31903 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.