CID 5918597

Methyl (5-(4-methoxyphenyl)-3-oxo-2(3h)-furanylidene)acetate

Structural Information

Molecular Formula
C14H12O5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)/C(=C\C(=O)OC)/O2
InChI
InChI=1S/C14H12O5/c1-17-10-5-3-9(4-6-10)12-7-11(15)13(19-12)8-14(16)18-2/h3-8H,1-2H3/b13-8+
InChIKey
SSGGEULUTOSRAD-MDWZMJQESA-N
Compound name
methyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 154.4
[M+Na]+ 283.05770 163.2
[M-H]- 259.06120 162.5
[M+NH4]+ 278.10230 171.8
[M+K]+ 299.03164 162.2
[M+H-H2O]+ 243.06574 148.2
[M+HCOO]- 305.06668 178.0
[M+CH3COO]- 319.08233 193.2
[M+Na-2H]- 281.04315 157.0
[M]+ 260.06793 159.0
[M]- 260.06903 159.0
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.