CID 501670

Chembl144631

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCC1(CC(C2=C(O1)C=C(C=C2)OC)O)C
InChI
InChI=1S/C16H24O3/c1-4-5-6-9-16(2)11-14(17)13-8-7-12(18-3)10-15(13)19-16/h7-8,10,14,17H,4-6,9,11H2,1-3H3
InChIKey
IBHRUFHOZGMTJR-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 162.3
[M+Na]+ 287.16177 169.4
[M-H]- 263.16527 165.9
[M+NH4]+ 282.20637 180.6
[M+K]+ 303.13571 167.5
[M+H-H2O]+ 247.16981 156.4
[M+HCOO]- 309.17075 179.7
[M+CH3COO]- 323.18640 197.1
[M+Na-2H]- 285.14722 167.6
[M]+ 264.17200 165.3
[M]- 264.17310 165.3
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.