CID 3525469

79831-86-0

Structural Information

Molecular Formula
C15H14O5
SMILES
COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)O)O
InChI
InChI=1S/C15H14O5/c1-19-15(18)11-7-12(16)14(17)13(8-11)20-9-10-5-3-2-4-6-10/h2-8,16-17H,9H2,1H3
InChIKey
PUIWZZWMNAHWJG-UHFFFAOYSA-N
Compound name
methyl 3,4-dihydroxy-5-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

274.08414 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.4
[M+Na]+ 297.07336 167.0
[M-H]- 273.07686 164.0
[M+NH4]+ 292.11796 174.2
[M+K]+ 313.04730 164.2
[M+H-H2O]+ 257.08140 152.1
[M+HCOO]- 319.08234 180.6
[M+CH3COO]- 333.09799 193.4
[M+Na-2H]- 295.05881 162.7
[M]+ 274.08359 162.0
[M]- 274.08469 162.0
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