CID 13370360

Methyl (2s)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC=O)C(=O)OC
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(5-6-12)8(13)15-4/h6-7H,5H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKey
YRBARHABTATAFQ-ZETCQYMHSA-N
Compound name
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

231.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 151.9
[M+Na]+ 254.09989 157.9
[M+NH4]+ 249.14449 155.8
[M+K]+ 270.07383 156.6
[M-H]- 230.10339 147.9
[M+Na-2H]- 252.08534 151.9
[M]+ 231.11012 151.0
[M]- 231.11122 151.0
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

patents stripe