CID 134816996

Garciosine b

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC(=CC2=C1OCO2)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C15H14O5/c1-17-12-5-9(3-4-11(12)16)10-6-13(18-2)15-14(7-10)19-8-20-15/h3-7,16H,8H2,1-2H3
InChIKey
AUZAXZGTTRLDBH-UHFFFAOYSA-N
Compound name
2-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 158.1
[M+Na]+ 297.07336 167.7
[M-H]- 273.07686 166.8
[M+NH4]+ 292.11796 174.3
[M+K]+ 313.04730 167.4
[M+H-H2O]+ 257.08140 152.1
[M+HCOO]- 319.08234 179.0
[M+CH3COO]- 333.09799 195.8
[M+Na-2H]- 295.05881 163.7
[M]+ 274.08359 164.0
[M]- 274.08469 164.0
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

No patent data available for this compound.