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]+ 301.107036 166.7
[M+Na]+ 323.088978 172.1
[M-H]- 299.092484 173.2
[M+NH4]+ 318.133583 181.8
[M+K]+ 339.062918 170.4
[M+H-H2O]+ 283.097020 159.9
[M+HCOO]- 345.097961 184.6
[M+CH3COO]- 359.113611 199.8
[M+Na-2H]- 321.074426 168.5
[M]+ 300.09921142 167.5
[M]- 300.10030858 167.5
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.