CID 6951357

(2s,3r)-2-amino-3-(tert-butoxy)butanoic acid

Structural Information

Molecular Formula
C8H17NO3
SMILES
C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C
InChI
InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKey
NMJINEMBBQVPGY-RITPCOANSA-N
Compound name
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

175.12085 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 140.7
[M+Na]+ 198.11007 145.9
[M-H]- 174.11357 139.2
[M+NH4]+ 193.15467 159.7
[M+K]+ 214.08401 146.6
[M+H-H2O]+ 158.11811 136.3
[M+HCOO]- 220.11905 159.2
[M+CH3COO]- 234.13470 182.1
[M+Na-2H]- 196.09552 142.3
[M]+ 175.12030 140.1
[M]- 175.12140 140.1
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