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 183.2
[M+Na]+ 369.16722 188.7
[M-H]- 345.17072 186.4
[M+NH4]+ 364.21182 195.5
[M+K]+ 385.14116 187.0
[M+H-H2O]+ 329.17526 176.1
[M+HCOO]- 391.17620 199.2
[M+CH3COO]- 405.19185 211.9
[M+Na-2H]- 367.15267 186.5
[M]+ 346.17745 189.3
[M]- 346.17855 189.3
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.