CID 5360741

Alternariol monomethyl ether

Structural Information

Molecular Formula
C15H12O5
SMILES
CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
InChI
InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
InChIKey
LCSDQFNUYFTXMT-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

134
References

127
Patents

272.06848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 156.3
[M+Na]+ 295.05770 173.2
[M+NH4]+ 290.10230 164.3
[M+K]+ 311.03164 166.9
[M-H]- 271.06120 160.2
[M+Na-2H]- 293.04315 162.0
[M]+ 272.06793 160.0
[M]- 272.06903 160.0
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