CID 1653775

Methyl [(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)OC
InChI
InChI=1S/C16H16O5/c1-9-13(20-8-14(17)19-2)7-6-11-10-4-3-5-12(10)16(18)21-15(9)11/h6-7H,3-5,8H2,1-2H3
InChIKey
YWFHVUURPKFESZ-UHFFFAOYSA-N
Compound name
methyl 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.107036 161.6
[M+Na]+ 311.088978 171.2
[M-H]- 287.092484 168.3
[M+NH4]+ 306.133583 180.3
[M+K]+ 327.062918 169.7
[M+H-H2O]+ 271.097020 155.8
[M+HCOO]- 333.097961 182.2
[M+CH3COO]- 347.113611 201.7
[M+Na-2H]- 309.074426 165.9
[M]+ 288.09921142 168.1
[M]- 288.10030858 168.1
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.