CID 3063111

99834-86-3

Structural Information

Molecular Formula
C14H12O5
SMILES
COC(=O)CC1=CC=C(C=C1)OC2=CC=C(O2)C=O
InChI
InChI=1S/C14H12O5/c1-17-13(16)8-10-2-4-11(5-3-10)18-14-7-6-12(9-15)19-14/h2-7,9H,8H2,1H3
InChIKey
HVYOAAMXDAPPLF-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.075756 154.8
[M+Na]+ 283.057698 163.3
[M-H]- 259.061204 162.8
[M+NH4]+ 278.102303 172.0
[M+K]+ 299.031638 162.7
[M+H-H2O]+ 243.065740 148.1
[M+HCOO]- 305.066681 179.6
[M+CH3COO]- 319.082331 193.1
[M+Na-2H]- 281.043146 158.9
[M]+ 260.06793142 161.2
[M]- 260.06902858 161.2
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.