CID 701957

1-ethoxy-3-methyl-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C16H18O3
SMILES
CCOC1=CC(=CC2=C1C3=C(CCCC3)C(=O)O2)C
InChI
InChI=1S/C16H18O3/c1-3-18-13-8-10(2)9-14-15(13)11-6-4-5-7-12(11)16(17)19-14/h8-9H,3-7H2,1-2H3
InChIKey
PXQSNYGKDLPGEB-UHFFFAOYSA-N
Compound name
1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

258.12558 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 156.2
[M+Na]+ 281.11480 171.5
[M+NH4]+ 276.15940 165.8
[M+K]+ 297.08874 163.6
[M-H]- 257.11830 161.3
[M+Na-2H]- 279.10025 161.6
[M]+ 258.12503 160.0
[M]- 258.12613 160.0
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.