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]+ 305.10198 166.3
[M+Na]+ 327.08392 174.6
[M-H]- 303.08742 174.3
[M+NH4]+ 322.12852 181.8
[M+K]+ 343.05786 174.3
[M+H-H2O]+ 287.09196 159.3
[M+HCOO]- 349.09290 190.5
[M+CH3COO]- 363.10855 202.4
[M+Na-2H]- 325.06937 168.8
[M]+ 304.09415 175.2
[M]- 304.09525 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.