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

185
Patents

340.16745 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.174726 179.8
[M+Na]+ 363.156668 189.8
[M-H]- 339.160174 186.5
[M+NH4]+ 358.201273 198.2
[M+K]+ 379.130608 187.5
[M+H-H2O]+ 323.164710 171.8
[M+HCOO]- 385.165651 191.0
[M+CH3COO]- 399.181301 190.5
[M+Na-2H]- 361.142116 187.2
[M]+ 340.16690142 180.5
[M]- 340.16799858 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