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]+ 307.11763 167.8
[M+Na]+ 329.09957 176.6
[M-H]- 305.10307 173.9
[M+NH4]+ 324.14417 184.6
[M+K]+ 345.07351 177.1
[M+H-H2O]+ 289.10761 161.9
[M+HCOO]- 351.10855 189.8
[M+CH3COO]- 365.12420 205.2
[M+Na-2H]- 327.08502 169.6
[M]+ 306.10980 178.2
[M]- 306.11090 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.