CID 66162

1,1'-spirobi[1h-indene]-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-

Structural Information

Molecular Formula
C21H24O4
SMILES
CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C
InChI
InChI=1S/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3
InChIKey
POFMQEVZKZVAPQ-UHFFFAOYSA-N
Compound name
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

850
Patents

340.16745 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 179.5
[M+Na]+ 363.15667 191.8
[M-H]- 339.16017 184.1
[M+NH4]+ 358.20127 203.7
[M+K]+ 379.13061 184.8
[M+H-H2O]+ 323.16471 176.7
[M+HCOO]- 385.16565 194.1
[M+CH3COO]- 399.18130 191.1
[M+Na-2H]- 361.14212 181.3
[M]+ 340.16690 181.1
[M]- 340.16800 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe