CID 74071

1568-80-5

Structural Information

Molecular Formula
C21H24O2
SMILES
CC1(CC2(CC(C3=C2C=C(C=C3)O)(C)C)C4=C1C=CC(=C4)O)C
InChI
InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
InChIKey
SICLLPHPVFCNTJ-UHFFFAOYSA-N
Compound name
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

3111
Patents

308.17764 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 174.4
[M+Na]+ 331.16686 186.3
[M-H]- 307.17036 181.0
[M+NH4]+ 326.21146 200.8
[M+K]+ 347.14080 179.0
[M+H-H2O]+ 291.17490 169.9
[M+HCOO]- 353.17584 191.9
[M+CH3COO]- 367.19149 186.8
[M+Na-2H]- 329.15231 177.0
[M]+ 308.17709 175.4
[M]- 308.17819 175.4
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