CID 131752939

7'-o-methylmarmin

Structural Information

Molecular Formula
C20H26O5
SMILES
C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC(C(C)(C)OC)O
InChI
InChI=1S/C20H26O5/c1-14(5-9-18(21)20(2,3)23-4)11-12-24-16-8-6-15-7-10-19(22)25-17(15)13-16/h6-8,10-11,13,18,21H,5,9,12H2,1-4H3/b14-11+
InChIKey
HODOWBFKRLQCBH-SDNWHVSQSA-N
Compound name
7-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.178 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18528 181.7
[M+Na]+ 369.16722 192.6
[M+NH4]+ 364.21182 187.0
[M+K]+ 385.14116 187.8
[M-H]- 345.17072 182.7
[M+Na-2H]- 367.15267 184.4
[M]+ 346.17745 183.4
[M]- 346.17855 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.