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

91
Patents

231.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 151.2
[M+Na]+ 254.099888 156.6
[M-H]- 230.103394 151.4
[M+NH4]+ 249.144493 168.9
[M+K]+ 270.073828 157.9
[M+H-H2O]+ 214.107930 146.0
[M+HCOO]- 276.108871 172.1
[M+CH3COO]- 290.124521 191.7
[M+Na-2H]- 252.085336 153.9
[M]+ 231.11012142 155.6
[M]- 231.11121858 155.6
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