CID 3852139

307548-94-3

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)C
InChI
InChI=1S/C16H16O4/c1-9(17)8-19-14-7-6-12-11-4-3-5-13(11)16(18)20-15(12)10(14)2/h6-7H,3-5,8H2,1-2H3
InChIKey
JLYIBZRYQJEBHZ-UHFFFAOYSA-N
Compound name
6-methyl-7-(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 158.7
[M+Na]+ 295.09408 168.5
[M-H]- 271.09758 165.4
[M+NH4]+ 290.13868 178.1
[M+K]+ 311.06802 166.3
[M+H-H2O]+ 255.10212 153.1
[M+HCOO]- 317.10306 179.1
[M+CH3COO]- 331.11871 200.1
[M+Na-2H]- 293.07953 162.8
[M]+ 272.10431 163.8
[M]- 272.10541 163.8
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.