CID 6421788

Ethyl 4-ethoxy-2-oxobut-3-enoate

Structural Information

Molecular Formula
C8H12O4
SMILES
CCO/C=C/C(=O)C(=O)OCC
InChI
InChI=1S/C8H12O4/c1-3-11-6-5-7(9)8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey
XPBYGYFJOZXYOE-AATRIKPKSA-N
Compound name
ethyl (E)-4-ethoxy-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 137.3
[M+Na]+ 195.06278 146.1
[M+NH4]+ 190.10738 143.0
[M+K]+ 211.03672 142.1
[M-H]- 171.06628 134.6
[M+Na-2H]- 193.04823 139.0
[M]+ 172.07301 137.3
[M]- 172.07411 137.3
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