CID 13226792

Ethyl 3-hydroxy-3-methyl-2-oxobutanoate

Structural Information

Molecular Formula
C7H12O4
SMILES
CCOC(=O)C(=O)C(C)(C)O
InChI
InChI=1S/C7H12O4/c1-4-11-6(9)5(8)7(2,3)10/h10H,4H2,1-3H3
InChIKey
NRYDVQMXTUOSIA-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-3-methyl-2-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

160.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.5
[M+Na]+ 183.06278 141.5
[M+NH4]+ 178.10738 139.0
[M+K]+ 199.03672 139.5
[M-H]- 159.06628 129.9
[M+Na-2H]- 181.04823 134.9
[M]+ 160.07301 133.2
[M]- 160.07411 133.2
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