CID 5480022

3-hexyl-1-hydroxy-9-methyl-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C20H22O3
SMILES
CCCCCCC1=CC(=C2C(=C1)OC(=O)C3=C2C=C(C=C3)C)O
InChI
InChI=1S/C20H22O3/c1-3-4-5-6-7-14-11-17(21)19-16-10-13(2)8-9-15(16)20(22)23-18(19)12-14/h8-12,21H,3-7H2,1-2H3
InChIKey
RYEDEYNBSMPVTP-UHFFFAOYSA-N
Compound name
3-hexyl-1-hydroxy-9-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1569 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 173.1
[M+Na]+ 333.14612 183.8
[M-H]- 309.14962 178.6
[M+NH4]+ 328.19072 188.9
[M+K]+ 349.12006 179.2
[M+H-H2O]+ 293.15416 165.5
[M+HCOO]- 355.15510 193.1
[M+CH3COO]- 369.17075 208.2
[M+Na-2H]- 331.13157 179.2
[M]+ 310.15635 179.9
[M]- 310.15745 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.