CID 2891688

300674-17-3

Structural Information

Molecular Formula
C16H18O6
SMILES
CCOC(=O)C(C)OC1=CC2=C(C=C1)OC(=C2C(=O)OC)C
InChI
InChI=1S/C16H18O6/c1-5-20-15(17)10(3)21-11-6-7-13-12(8-11)14(9(2)22-13)16(18)19-4/h6-8,10H,5H2,1-4H3
InChIKey
FFYHENMVSAUXCM-UHFFFAOYSA-N
Compound name
methyl 5-(1-ethoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.117626 167.8
[M+Na]+ 329.099568 176.6
[M-H]- 305.103074 173.9
[M+NH4]+ 324.144173 184.6
[M+K]+ 345.073508 177.1
[M+H-H2O]+ 289.107610 161.9
[M+HCOO]- 351.108551 189.8
[M+CH3COO]- 365.124201 205.2
[M+Na-2H]- 327.085016 169.6
[M]+ 306.10980142 178.2
[M]- 306.11089858 178.2
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.