CID 51346756

2-{3-[(2,3-dihydroxyphenyl)(hydroxy)methyl]phenyl}propanoate

Structural Information

Molecular Formula
C16H16O5
SMILES
CC(C1=CC(=CC=C1)C(C2=C(C(=CC=C2)O)O)O)C(=O)O
InChI
InChI=1S/C16H16O5/c1-9(16(20)21)10-4-2-5-11(8-10)14(18)12-6-3-7-13(17)15(12)19/h2-9,14,17-19H,1H3,(H,20,21)
InChIKey
VOSZIGJLAJQZSQ-UHFFFAOYSA-N
Compound name
2-[3-[(2,3-dihydroxyphenyl)-hydroxymethyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 165.5
[M+Na]+ 311.08898 176.5
[M+NH4]+ 306.13358 170.8
[M+K]+ 327.06292 173.2
[M-H]- 287.09248 166.3
[M+Na-2H]- 309.07443 170.1
[M]+ 288.09921 167.0
[M]- 288.10031 167.0
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

No patent data available for this compound.