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

32
Patents

232.1423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.149576 154.9
[M+Na]+ 255.131518 159.0
[M-H]- 231.135024 154.5
[M+NH4]+ 250.176123 171.9
[M+K]+ 271.105458 160.6
[M+H-H2O]+ 215.139560 149.4
[M+HCOO]- 277.140501 174.7
[M+CH3COO]- 291.156151 196.0
[M+Na-2H]- 253.116966 155.2
[M]+ 232.14175142 155.9
[M]- 232.14284858 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