CID 19863994

Tert-butyl 2-acetamido-3-oxobutanoate

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(=O)C(C(=O)OC(C)(C)C)NC(=O)C
InChI
InChI=1S/C10H17NO4/c1-6(12)8(11-7(2)13)9(14)15-10(3,4)5/h8H,1-5H3,(H,11,13)
InChIKey
XQTDJSTUMRJJBZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-acetamido-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.11575 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.1
[M+Na]+ 238.10497 155.2
[M+NH4]+ 233.14957 153.5
[M+K]+ 254.07891 154.2
[M-H]- 214.10847 145.4
[M+Na-2H]- 236.09042 149.2
[M]+ 215.11520 148.3
[M]- 215.11630 148.3
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

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