CID 13370360

87884-14-8

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 151.2
[M+Na]+ 254.09989 156.6
[M-H]- 230.10339 151.4
[M+NH4]+ 249.14449 168.9
[M+K]+ 270.07383 157.9
[M+H-H2O]+ 214.10793 146.0
[M+HCOO]- 276.10887 172.1
[M+CH3COO]- 290.12452 191.7
[M+Na-2H]- 252.08534 153.9
[M]+ 231.11012 155.6
[M]- 231.11122 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