CID 68213

Maclurin

Structural Information

Molecular Formula
C13H10O6
SMILES
C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O
InChI
InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
InChIKey
XNWPXDGRBWJIES-UHFFFAOYSA-N
Compound name
(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

65
References

1045
Patents

262.04773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05501 155.9
[M+Na]+ 285.03695 168.0
[M+NH4]+ 280.08155 161.1
[M+K]+ 301.01089 165.0
[M-H]- 261.04045 156.3
[M+Na-2H]- 283.02240 160.5
[M]+ 262.04718 157.4
[M]- 262.04828 157.4
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

patents stripe