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]+ 259.132856 155.8
[M+Na]+ 281.114798 164.9
[M-H]- 257.118304 162.1
[M+NH4]+ 276.159403 174.0
[M+K]+ 297.088738 162.4
[M+H-H2O]+ 241.122840 148.9
[M+HCOO]- 303.123781 174.6
[M+CH3COO]- 317.139431 198.4
[M+Na-2H]- 279.100246 162.6
[M]+ 258.12503142 158.5
[M]- 258.12612858 158.5
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.