CID 4073176

1,4-diethyl 2-(hydroxymethylene)butanedioate

Structural Information

Molecular Formula
C9H14O5
SMILES
CCOC(=O)CC(=CO)C(=O)OCC
InChI
InChI=1S/C9H14O5/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h6,10H,3-5H2,1-2H3
InChIKey
GWGPFJLXLHDLLP-UHFFFAOYSA-N
Compound name
diethyl 2-(hydroxymethylidene)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.08412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 144.1
[M+Na]+ 225.07334 149.9
[M-H]- 201.07684 142.7
[M+NH4]+ 220.11794 162.4
[M+K]+ 241.04728 150.1
[M+H-H2O]+ 185.08138 139.0
[M+HCOO]- 247.08232 164.3
[M+CH3COO]- 261.09797 181.5
[M+Na-2H]- 223.05879 145.5
[M]+ 202.08357 147.6
[M]- 202.08467 147.6
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.