CID 101409

32737-33-0

Structural Information

Molecular Formula
C21H24O6
SMILES
CC1(CC2(CC(C3=CC(=C(C(=C32)O)O)O)(C)C)C4=C(C(=C(C=C41)O)O)O)C
InChI
InChI=1S/C21H24O6/c1-19(2)7-21(13-9(19)5-11(22)15(24)17(13)26)8-20(3,4)10-6-12(23)16(25)18(27)14(10)21/h5-6,22-27H,7-8H2,1-4H3
InChIKey
AFYBVKGVQMFUMU-UHFFFAOYSA-N
Compound name
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

372.1573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 180.9
[M+Na]+ 395.14652 190.5
[M+NH4]+ 390.19112 190.9
[M+K]+ 411.12046 185.2
[M-H]- 371.15002 180.8
[M+Na-2H]- 393.13197 184.3
[M]+ 372.15675 182.5
[M]- 372.15785 182.5
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

patents stripe