CID 375473

5-(2-(2,5-dihydroxyphenyl)ethyl)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C15H14O5
SMILES
C1=CC(=C(C=C1CCC2=C(C=CC(=C2)O)O)C(=O)O)O
InChI
InChI=1S/C15H14O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h2,4-8,16-18H,1,3H2,(H,19,20)
InChIKey
LFWUGCULXWIAOP-UHFFFAOYSA-N
Compound name
5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

190
Patents

274.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.8
[M+Na]+ 297.07336 167.3
[M-H]- 273.07686 162.0
[M+NH4]+ 292.11796 173.4
[M+K]+ 313.04730 163.0
[M+H-H2O]+ 257.08140 153.2
[M+HCOO]- 319.08234 177.9
[M+CH3COO]- 333.09799 190.9
[M+Na-2H]- 295.05881 161.5
[M]+ 274.08359 159.3
[M]- 274.08469 159.3
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

patents stripe