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 154.8
[M+Na]+ 283.05770 163.3
[M-H]- 259.06120 162.8
[M+NH4]+ 278.10230 172.0
[M+K]+ 299.03164 162.7
[M+H-H2O]+ 243.06574 148.1
[M+HCOO]- 305.06668 179.6
[M+CH3COO]- 319.08233 193.1
[M+Na-2H]- 281.04315 158.9
[M]+ 260.06793 161.2
[M]- 260.06903 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.