CID 914126

4-methoxyphenyl 3-(2-furyl)-2-propenoate

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C14H12O4/c1-16-11-4-6-13(7-5-11)18-14(15)9-8-12-3-2-10-17-12/h2-10H,1H3/b9-8+
InChIKey
NMIXTHNWGHUJQZ-CMDGGOBGSA-N
Compound name
(4-methoxyphenyl) (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 152.9
[M+Na]+ 267.062778 160.7
[M-H]- 243.066284 160.5
[M+NH4]+ 262.107383 170.6
[M+K]+ 283.036718 159.5
[M+H-H2O]+ 227.070820 146.2
[M+HCOO]- 289.071761 177.5
[M+CH3COO]- 303.087411 189.1
[M+Na-2H]- 265.048226 157.5
[M]+ 244.07301142 157.3
[M]- 244.07410858 157.3
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.