CID 5480021

3-hydroxy-9-methyl-2-pentyl-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C19H20O3
SMILES
CCCCCC1=CC2=C(C=C1O)OC(=O)C3=C2C=C(C=C3)C
InChI
InChI=1S/C19H20O3/c1-3-4-5-6-13-10-16-15-9-12(2)7-8-14(15)19(21)22-18(16)11-17(13)20/h7-11,20H,3-6H2,1-2H3
InChIKey
MEBLRALNJMUTSV-UHFFFAOYSA-N
Compound name
3-hydroxy-9-methyl-2-pentylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 168.2
[M+Na]+ 319.13046 179.4
[M-H]- 295.13396 174.0
[M+NH4]+ 314.17506 184.7
[M+K]+ 335.10440 175.1
[M+H-H2O]+ 279.13850 161.0
[M+HCOO]- 341.13944 188.7
[M+CH3COO]- 355.15509 205.3
[M+Na-2H]- 317.11591 175.0
[M]+ 296.14069 174.8
[M]- 296.14179 174.8
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.