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

literature stripe

Patent stripe

patents stripe