CID 6951357

O-tert-butyl-l-threonine

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

192
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 140.1
[M+Na]+ 198.11007 146.4
[M+NH4]+ 193.15467 145.5
[M+K]+ 214.08401 145.2
[M-H]- 174.11357 137.0
[M+Na-2H]- 196.09552 140.6
[M]+ 175.12030 139.6
[M]- 175.12140 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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