CID 2060832

733796-13-9

Structural Information

Molecular Formula
C16H16O6
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(O2)C(=O)OC
InChI
InChI=1S/C16H16O6/c1-3-20-15-8-11(9-17)4-6-13(15)21-10-12-5-7-14(22-12)16(18)19-2/h4-9H,3,10H2,1-2H3
InChIKey
SUMHBCLAJRWJJB-UHFFFAOYSA-N
Compound name
methyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.101976 166.3
[M+Na]+ 327.083918 174.6
[M-H]- 303.087424 174.3
[M+NH4]+ 322.128523 181.8
[M+K]+ 343.057858 174.3
[M+H-H2O]+ 287.091960 159.3
[M+HCOO]- 349.092901 190.5
[M+CH3COO]- 363.108551 202.4
[M+Na-2H]- 325.069366 168.8
[M]+ 304.09415142 175.2
[M]- 304.09524858 175.2
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.