CID 70615

Ethyl hydrogen malonate

Structural Information

Molecular Formula
C5H8O4
SMILES
CCOC(=O)CC(=O)O
InChI
InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
HGINADPHJQTSKN-UHFFFAOYSA-N
Compound name
3-ethoxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

10764
Patents

132.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 124.0
[M+Na]+ 155.03147 131.4
[M-H]- 131.03497 123.3
[M+NH4]+ 150.07607 145.2
[M+K]+ 171.00541 132.1
[M+H-H2O]+ 115.03951 119.8
[M+HCOO]- 177.04045 146.1
[M+CH3COO]- 191.05610 168.6
[M+Na-2H]- 153.01692 128.7
[M]+ 132.04170 126.1
[M]- 132.04280 126.1
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.