CID 231500

Diethyl 2-formylsuccinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

202.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 144.2
[M+Na]+ 225.07334 152.0
[M+NH4]+ 220.11794 149.1
[M+K]+ 241.04728 149.2
[M-H]- 201.07684 140.7
[M+Na-2H]- 223.05879 144.8
[M]+ 202.08357 143.8
[M]- 202.08467 143.8
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

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