CID 5270725

2-(3,4-dihydroxyphenyl)ethyl 3,4,5-trihydroxybenzoate

Structural Information

Molecular Formula
C15H14O7
SMILES
C1=CC(=C(C=C1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
InChI
InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
InChIKey
QXRABVWZNGKJQT-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)ethyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.07394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08122 165.5
[M+Na]+ 329.06316 173.0
[M-H]- 305.06666 166.6
[M+NH4]+ 324.10776 177.1
[M+K]+ 345.03710 169.6
[M+H-H2O]+ 289.07120 158.6
[M+HCOO]- 351.07214 182.3
[M+CH3COO]- 365.08779 194.3
[M+Na-2H]- 327.04861 166.2
[M]+ 306.07339 166.4
[M]- 306.07449 166.4
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.