CID 59417453

2679950-93-5

Structural Information

Molecular Formula
C10H20N2O4
SMILES
C[C@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H20N2O4/c1-6(11)7(8(13)15-5)12-9(14)16-10(2,3)4/h6-7H,11H2,1-5H3,(H,12,14)/t6-,7+/m1/s1
InChIKey
KECGLEVGGMJPOS-RQJHMYQMSA-N
Compound name
methyl (2S,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

232.1423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 154.9
[M+Na]+ 255.13152 159.0
[M-H]- 231.13502 154.5
[M+NH4]+ 250.17612 171.9
[M+K]+ 271.10546 160.6
[M+H-H2O]+ 215.13956 149.4
[M+HCOO]- 277.14050 174.7
[M+CH3COO]- 291.15615 196.0
[M+Na-2H]- 253.11697 155.2
[M]+ 232.14175 155.9
[M]- 232.14285 155.9
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