CID 70610

4-ethoxy-4-oxobutanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CCOC(=O)CCC(=O)O
InChI
InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
LOLKAJARZKDJTD-UHFFFAOYSA-N
Compound name
4-ethoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

4366
Patents

146.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.7
[M+Na]+ 169.04712 138.3
[M+NH4]+ 164.09172 135.7
[M+K]+ 185.02106 135.2
[M-H]- 145.05062 126.8
[M+Na-2H]- 167.03257 131.4
[M]+ 146.05735 129.6
[M]- 146.05845 129.6
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