CID 3071899

Propanoic acid, 2-(5-(4-methylphenyl)-3-oxo-2(3h)-furanylidene)-, methyl ester

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=CC=C(C=C1)C2=CC(=O)/C(=C(/C)\C(=O)OC)/O2
InChI
InChI=1S/C15H14O4/c1-9-4-6-11(7-5-9)13-8-12(16)14(19-13)10(2)15(17)18-3/h4-8H,1-3H3/b14-10+
InChIKey
HFPHFPIWWCDESH-GXDHUFHOSA-N
Compound name
methyl (2E)-2-[5-(4-methylphenyl)-3-oxofuran-2-ylidene]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 156.3
[M+Na]+ 281.078418 164.5
[M-H]- 257.081924 164.4
[M+NH4]+ 276.123023 173.8
[M+K]+ 297.052358 163.2
[M+H-H2O]+ 241.086460 150.3
[M+HCOO]- 303.087401 178.3
[M+CH3COO]- 317.103051 195.0
[M+Na-2H]- 279.063866 157.1
[M]+ 258.08865142 159.2
[M]- 258.08974858 159.2
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.