CID 9102272

2415114-73-5

Structural Information

Molecular Formula
C10H10O5
SMILES
CC1=C(C=C(O1)/C=C/C(=O)O)C(=O)OC
InChI
InChI=1S/C10H10O5/c1-6-8(10(13)14-2)5-7(15-6)3-4-9(11)12/h3-5H,1-2H3,(H,11,12)/b4-3+
InChIKey
YSASBCPSKJYHQL-ONEGZZNKSA-N
Compound name
(E)-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

210.05283 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.060106 142.3
[M+Na]+ 233.042048 150.9
[M-H]- 209.045554 145.9
[M+NH4]+ 228.086653 161.1
[M+K]+ 249.015988 150.7
[M+H-H2O]+ 193.050090 137.5
[M+HCOO]- 255.051031 164.6
[M+CH3COO]- 269.066681 182.3
[M+Na-2H]- 231.027496 144.7
[M]+ 210.05228142 146.5
[M]- 210.05337858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.