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]+ 216.123026 147.8
[M+Na]+ 238.104968 153.1
[M-H]- 214.108474 148.1
[M+NH4]+ 233.149573 166.1
[M+K]+ 254.078908 154.4
[M+H-H2O]+ 198.113010 143.1
[M+HCOO]- 260.113951 167.5
[M+CH3COO]- 274.129601 191.1
[M+Na-2H]- 236.090416 149.2
[M]+ 215.11520142 150.3
[M]- 215.11629858 150.3
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

patents stripe