CID 15108314

7-methoxy-5-prenyloxycoumarin

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C
InChI
InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3
InChIKey
HSJZJYCOXHKDBJ-UHFFFAOYSA-N
Compound name
7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

260.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.2
[M+Na]+ 283.09408 170.4
[M+NH4]+ 278.13868 163.8
[M+K]+ 299.06802 164.0
[M-H]- 259.09758 159.5
[M+Na-2H]- 281.07953 161.6
[M]+ 260.10431 159.2
[M]- 260.10541 159.2
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

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