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 156.1
[M+Na]+ 283.09408 165.4
[M-H]- 259.09758 161.8
[M+NH4]+ 278.13868 173.2
[M+K]+ 299.06802 163.9
[M+H-H2O]+ 243.10212 149.4
[M+HCOO]- 305.10306 177.9
[M+CH3COO]- 319.11871 197.2
[M+Na-2H]- 281.07953 162.0
[M]+ 260.10431 162.4
[M]- 260.10541 162.4
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.