CID 71758254

4-(tert-butoxy)-2-cyano-2-methyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)CC(C)(C#N)C(=O)O
InChI
InChI=1S/C10H15NO4/c1-9(2,3)15-7(12)5-10(4,6-11)8(13)14/h5H2,1-4H3,(H,13,14)
InChIKey
MIRBMHHZLRQLQM-UHFFFAOYSA-N
Compound name
2-cyano-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 145.9
[M+Na]+ 236.08933 152.6
[M+NH4]+ 231.13393 147.3
[M+K]+ 252.06327 148.2
[M-H]- 212.09283 134.8
[M+Na-2H]- 234.07478 144.5
[M]+ 213.09956 142.5
[M]- 213.10066 142.5
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.