CID 12992644

Tert-butyl (2s)-4-amino-2-(tert-butoxy)butanoate hydrochloride

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C)(C)O[C@@H](CCN)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-11(2,3)15-9(7-8-13)10(14)16-12(4,5)6/h9H,7-8,13H2,1-6H3/t9-/m0/s1
InChIKey
GKULCEZVQDUIER-VIFPVBQESA-N
Compound name
tert-butyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.18344 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 157.5
[M+Na]+ 254.172658 162.3
[M-H]- 230.176164 157.1
[M+NH4]+ 249.217263 175.5
[M+K]+ 270.146598 162.9
[M+H-H2O]+ 214.180700 152.9
[M+HCOO]- 276.181641 175.7
[M+CH3COO]- 290.197291 195.0
[M+Na-2H]- 252.158106 160.0
[M]+ 231.18289142 160.4
[M]- 231.18398858 160.4
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