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]+ 261.07576 156.0
[M+Na]+ 283.05770 168.4
[M+NH4]+ 278.10230 162.7
[M+K]+ 299.03164 165.0
[M-H]- 259.06120 159.3
[M+Na-2H]- 281.04315 162.0
[M]+ 260.06793 158.5
[M]- 260.06903 158.5
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.