CID 592148

Spirobicromane

Structural Information

Molecular Formula
C21H24O4
SMILES
CC1(CC2(CC(C3=C(O2)C=C(C=C3)O)(C)C)OC4=C1C=CC(=C4)O)C
InChI
InChI=1S/C21H24O4/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10,22-23H,11-12H2,1-4H3
InChIKey
BWQOXWHQZXVXSD-UHFFFAOYSA-N
Compound name
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

340.16745 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 179.8
[M+Na]+ 363.15667 189.8
[M-H]- 339.16017 186.5
[M+NH4]+ 358.20127 198.2
[M+K]+ 379.13061 187.5
[M+H-H2O]+ 323.16471 171.8
[M+HCOO]- 385.16565 191.0
[M+CH3COO]- 399.18130 190.5
[M+Na-2H]- 361.14212 187.2
[M]+ 340.16690 180.5
[M]- 340.16800 180.5
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