CID 6441377

5-geranoxy-7-methoxycoumarin

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(=CCC/C(=C/COC1=CC(=CC2=C1C=CC(=O)O2)OC)/C)C
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
WXUOSNJWDJOHGW-XNTDXEJSSA-N
Compound name
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

29
Patents

328.16745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 177.9
[M+Na]+ 351.15667 190.7
[M+NH4]+ 346.20127 184.1
[M+K]+ 367.13061 183.8
[M-H]- 327.16017 180.4
[M+Na-2H]- 349.14212 181.4
[M]+ 328.16690 180.4
[M]- 328.16800 180.4
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