CID 6446915

67883-89-0

Structural Information

Molecular Formula
C14H12O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)OC2)O
InChI
InChI=1S/C14H12O5/c1-18-10-5-2-9(3-6-10)4-7-12(15)11-8-19-14(17)13(11)16/h2-7,16H,8H2,1H3/b7-4+
InChIKey
BKCVSCQIZVKFGG-QPJJXVBHSA-N
Compound name
4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 155.0
[M+Na]+ 283.05770 163.2
[M-H]- 259.06120 161.6
[M+NH4]+ 278.10230 171.5
[M+K]+ 299.03164 161.3
[M+H-H2O]+ 243.06574 148.9
[M+HCOO]- 305.06668 176.9
[M+CH3COO]- 319.08233 191.5
[M+Na-2H]- 281.04315 157.0
[M]+ 260.06793 157.8
[M]- 260.06903 157.8
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.