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]+ 289.10704 161.6
[M+Na]+ 311.08898 171.2
[M-H]- 287.09248 168.3
[M+NH4]+ 306.13358 180.3
[M+K]+ 327.06292 169.7
[M+H-H2O]+ 271.09702 155.8
[M+HCOO]- 333.09796 182.2
[M+CH3COO]- 347.11361 201.7
[M+Na-2H]- 309.07443 165.9
[M]+ 288.09921 168.1
[M]- 288.10031 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.