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

169
Patents

372.1573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.164576 184.6
[M+Na]+ 395.146518 197.1
[M-H]- 371.150024 187.1
[M+NH4]+ 390.191123 206.4
[M+K]+ 411.120458 190.6
[M+H-H2O]+ 355.154560 183.3
[M+HCOO]- 417.155501 196.2
[M+CH3COO]- 431.171151 209.6
[M+Na-2H]- 393.131966 185.6
[M]+ 372.15675142 186.8
[M]- 372.15784858 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