CID 28550

17448-96-3

Structural Information

Molecular Formula
C12H14O5
SMILES
CCOC(=O)C(=CC1=CC=CO1)C(=O)OCC
InChI
InChI=1S/C12H14O5/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3
InChIKey
IRUZVWQOYLRAQX-UHFFFAOYSA-N
Compound name
diethyl 2-(furan-2-ylmethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

238.08412 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 153.5
[M+Na]+ 261.07334 161.9
[M+NH4]+ 256.11794 158.7
[M+K]+ 277.04728 160.5
[M-H]- 237.07684 153.1
[M+Na-2H]- 259.05879 155.3
[M]+ 238.08357 154.1
[M]- 238.08467 154.1
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

patents stripe