CID 3052166

Acetic acid, ((4-(3-furanylcarbonyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C17H16O5
SMILES
C1CCC2=C(C=CC(=C2C1)C(=O)C3=COC=C3)OCC(=O)O
InChI
InChI=1S/C17H16O5/c18-16(19)10-22-15-6-5-14(12-3-1-2-4-13(12)15)17(20)11-7-8-21-9-11/h5-9H,1-4,10H2,(H,18,19)
InChIKey
SLLADBFLQOYDTL-UHFFFAOYSA-N
Compound name
2-[[4-(furan-3-carbonyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 167.0
[M+Na]+ 323.08898 177.9
[M+NH4]+ 318.13358 173.9
[M+K]+ 339.06292 174.9
[M-H]- 299.09248 170.3
[M+Na-2H]- 321.07443 171.0
[M]+ 300.09921 169.2
[M]- 300.10031 169.2
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.