CID 7019950

60417-38-1

Structural Information

Molecular Formula
C10H20N2O3
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H20N2O3/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,13)/t6-,7-/m0/s1
InChIKey
SVLVBJGAHGTROD-BQBZGAKWSA-N
Compound name
tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

216.1474 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 152.2
[M+Na]+ 239.13662 156.3
[M-H]- 215.14012 151.8
[M+NH4]+ 234.18122 169.9
[M+K]+ 255.11056 157.4
[M+H-H2O]+ 199.14466 146.9
[M+HCOO]- 261.14560 171.7
[M+CH3COO]- 275.16125 194.5
[M+Na-2H]- 237.12207 152.4
[M]+ 216.14685 151.9
[M]- 216.14795 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe