CID 131751073

8-methoxygravelliferone

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(=CCC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(C)(C)C=C)OC)O)C
InChI
InChI=1S/C20H24O4/c1-7-20(4,5)15-11-14-10-13(9-8-12(2)3)16(21)18(23-6)17(14)24-19(15)22/h7-8,10-11,21H,1,9H2,2-6H3
InChIKey
YQFOLGLNDZRLBW-UHFFFAOYSA-N
Compound name
7-hydroxy-8-methoxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16745 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 177.1
[M+Na]+ 351.15667 186.2
[M-H]- 327.16017 181.5
[M+NH4]+ 346.20127 191.2
[M+K]+ 367.13061 182.9
[M+H-H2O]+ 311.16471 171.0
[M+HCOO]- 373.16565 194.1
[M+CH3COO]- 387.18130 212.1
[M+Na-2H]- 349.14212 179.6
[M]+ 328.16690 183.0
[M]- 328.16800 183.0
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

No patent data available for this compound.