CID 24039290

Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

Structural Information

Molecular Formula
C16H14O7
SMILES
CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2O)O)C(=O)OC)O
InChI
InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(21)13-9(16(22)23-2)5-8(17)6-12(13)20/h3-6,17-20H,1-2H3
InChIKey
GIJDACMRFIMBET-UHFFFAOYSA-N
Compound name
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

318.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 167.4
[M+Na]+ 341.06316 175.8
[M-H]- 317.06666 170.2
[M+NH4]+ 336.10776 179.4
[M+K]+ 357.03710 173.2
[M+H-H2O]+ 301.07120 160.7
[M+HCOO]- 363.07214 184.6
[M+CH3COO]- 377.08779 201.1
[M+Na-2H]- 339.04861 166.3
[M]+ 318.07339 169.6
[M]- 318.07449 169.6
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.