CID 141688027

Dimethyl 2-formyl-3-oxopentanedioate

Structural Information

Molecular Formula
C8H10O6
SMILES
COC(=O)CC(=O)C(C=O)C(=O)OC
InChI
InChI=1S/C8H10O6/c1-13-7(11)3-6(10)5(4-9)8(12)14-2/h4-5H,3H2,1-2H3
InChIKey
ZAEVVKOCEFWDHV-UHFFFAOYSA-N
Compound name
dimethyl 2-formyl-3-oxopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

202.04774 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05502 138.4
[M+Na]+ 225.03696 145.1
[M-H]- 201.04046 138.8
[M+NH4]+ 220.08156 157.2
[M+K]+ 241.01090 146.8
[M+H-H2O]+ 185.04500 133.4
[M+HCOO]- 247.04594 160.0
[M+CH3COO]- 261.06159 183.9
[M+Na-2H]- 223.02241 140.0
[M]+ 202.04719 143.8
[M]- 202.04829 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

No literature data available for this compound.

Patent stripe

patents stripe