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]+ 289.10704 161.9
[M+Na]+ 311.08898 170.7
[M-H]- 287.09248 167.3
[M+NH4]+ 306.13358 179.7
[M+K]+ 327.06292 168.9
[M+H-H2O]+ 271.09702 156.6
[M+HCOO]- 333.09796 179.9
[M+CH3COO]- 347.11361 200.9
[M+Na-2H]- 309.07443 164.6
[M]+ 288.09921 166.1
[M]- 288.10031 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.