CID 7018832

Tert-butyl (2s,3r)-2-amino-3-(tert-butoxy)butanoate

Structural Information

Molecular Formula
C12H25NO3
SMILES
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9+/m1/s1
InChIKey
PPDIUNOGUIAFLV-BDAKNGLRSA-N
Compound name
tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

231.18344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 156.6
[M+Na]+ 254.172658 161.2
[M-H]- 230.176164 156.3
[M+NH4]+ 249.217263 174.5
[M+K]+ 270.146598 162.4
[M+H-H2O]+ 214.180700 152.2
[M+HCOO]- 276.181641 173.9
[M+CH3COO]- 290.197291 195.9
[M+Na-2H]- 252.158106 158.0
[M]+ 231.18289142 158.9
[M]- 231.18398858 158.9
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

No patent data available for this compound.