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]+ 259.09648 156.3
[M+Na]+ 281.07842 164.5
[M-H]- 257.08192 164.4
[M+NH4]+ 276.12302 173.8
[M+K]+ 297.05236 163.2
[M+H-H2O]+ 241.08646 150.3
[M+HCOO]- 303.08740 178.3
[M+CH3COO]- 317.10305 195.0
[M+Na-2H]- 279.06387 157.1
[M]+ 258.08865 159.2
[M]- 258.08975 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.