CID 493160

Zhu-ix-159

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1=CC2=C(C(=C1CO)C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5
InChI
InChI=1S/C20H16O5/c1-11-6-12-3-5-16-20(25-10-23-16)19(12)18(14(11)8-21)13-2-4-15-17(7-13)24-9-22-15/h2-7,21H,8-10H2,1H3
InChIKey
FYJXBACNPPUSME-UHFFFAOYSA-N
Compound name
[9-(1,3-benzodioxol-5-yl)-7-methylbenzo[g][1,3]benzodioxol-8-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 174.3
[M+Na]+ 359.08898 184.4
[M-H]- 335.09248 186.0
[M+NH4]+ 354.13358 188.8
[M+K]+ 375.06292 184.1
[M+H-H2O]+ 319.09702 170.1
[M+HCOO]- 381.09796 190.0
[M+CH3COO]- 395.11361 186.9
[M+Na-2H]- 357.07443 178.3
[M]+ 336.09921 180.3
[M]- 336.10031 180.3
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

No patent data available for this compound.