CID 2771991

314744-27-9

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)O
InChI
InChI=1S/C16H16O5/c1-8-6-12(20-9(2)15(17)18)14-10-4-3-5-11(10)16(19)21-13(14)7-8/h6-7,9H,3-5H2,1-2H3,(H,17,18)
InChIKey
YGGFKEHKKRYCAZ-UHFFFAOYSA-N
Compound name
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanoic acid
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 161.9
[M+Na]+ 311.088978 170.7
[M-H]- 287.092484 167.3
[M+NH4]+ 306.133583 179.7
[M+K]+ 327.062918 168.9
[M+H-H2O]+ 271.097020 156.6
[M+HCOO]- 333.097961 179.9
[M+CH3COO]- 347.113611 200.9
[M+Na-2H]- 309.074426 164.6
[M]+ 288.09921142 166.1
[M]- 288.10030858 166.1
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.