CID 1726244

(8-hexyl-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yloxy)-acetic acid

Structural Information

Molecular Formula
C20H24O5
SMILES
CCCCCCC1=CC2=C(C=C1OCC(=O)O)OC(=O)C3=C2CCC3
InChI
InChI=1S/C20H24O5/c1-2-3-4-5-7-13-10-16-14-8-6-9-15(14)20(23)25-18(16)11-17(13)24-12-19(21)22/h10-11H,2-9,12H2,1H3,(H,21,22)
InChIKey
XZGWETNMPTWLIL-UHFFFAOYSA-N
Compound name
2-[(8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16238 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 181.0
[M+Na]+ 367.15160 188.2
[M-H]- 343.15510 185.4
[M+NH4]+ 362.19620 196.4
[M+K]+ 383.12554 184.9
[M+H-H2O]+ 327.15964 174.6
[M+HCOO]- 389.16058 198.5
[M+CH3COO]- 403.17623 211.8
[M+Na-2H]- 365.13705 182.6
[M]+ 344.16183 187.0
[M]- 344.16293 187.0
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.