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 166.7
[M+Na]+ 323.08898 172.1
[M-H]- 299.09248 173.2
[M+NH4]+ 318.13358 181.8
[M+K]+ 339.06292 170.4
[M+H-H2O]+ 283.09702 159.9
[M+HCOO]- 345.09796 184.6
[M+CH3COO]- 359.11361 199.8
[M+Na-2H]- 321.07443 168.5
[M]+ 300.09921 167.5
[M]- 300.10031 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.