CID 501672

Chembl343870

Structural Information

Molecular Formula
C17H24O3
SMILES
CC(=CCCC1(CC(C2=C(O1)C=C(C=C2)OC)O)C)C
InChI
InChI=1S/C17H24O3/c1-12(2)6-5-9-17(3)11-15(18)14-8-7-13(19-4)10-16(14)20-17/h6-8,10,15,18H,5,9,11H2,1-4H3
InChIKey
ZACCKEJTQKOGHF-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 165.9
[M+Na]+ 299.16177 172.6
[M-H]- 275.16527 169.3
[M+NH4]+ 294.20637 183.6
[M+K]+ 315.13571 170.4
[M+H-H2O]+ 259.16981 160.1
[M+HCOO]- 321.17075 182.1
[M+CH3COO]- 335.18640 199.6
[M+Na-2H]- 297.14722 169.4
[M]+ 276.17200 167.7
[M]- 276.17310 167.7
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.