CID 6455067

1,1'-spirobi(1h-indene)-4,4',5,5',6,6'-hexol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
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 184.6
[M+Na]+ 395.14652 197.1
[M-H]- 371.15002 187.1
[M+NH4]+ 390.19112 206.4
[M+K]+ 411.12046 190.6
[M+H-H2O]+ 355.15456 183.3
[M+HCOO]- 417.15550 196.2
[M+CH3COO]- 431.17115 209.6
[M+Na-2H]- 393.13197 185.6
[M]+ 372.15675 186.8
[M]- 372.15785 186.8
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

patents stripe