CID 6918469

Altenusin

Structural Information

Molecular Formula
C15H14O6
SMILES
CC1=CC(=C(C=C1C2=C(C(=CC(=C2)OC)O)C(=O)O)O)O
InChI
InChI=1S/C15H14O6/c1-7-3-11(16)12(17)6-9(7)10-4-8(21-2)5-13(18)14(10)15(19)20/h3-6,16-18H,1-2H3,(H,19,20)
InChIKey
ADPBTBPPIIKLEH-UHFFFAOYSA-N
Compound name
2-(4,5-dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

120
Patents

290.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 161.8
[M+Na]+ 313.06826 170.9
[M-H]- 289.07176 164.8
[M+NH4]+ 308.11286 175.2
[M+K]+ 329.04220 167.6
[M+H-H2O]+ 273.07630 155.4
[M+HCOO]- 335.07724 180.0
[M+CH3COO]- 349.09289 196.0
[M+Na-2H]- 311.05371 162.2
[M]+ 290.07849 163.7
[M]- 290.07959 163.7
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