CID 194239

69320-90-7

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

C[C@H]([C@@H](C(=O)OC(C)(C)C)N)O

InChI

InChI=1S/C8H17NO3/c1-5(10)6(9)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6+/m1/s1

InChIKey

XASPGLPXANLVTJ-RITPCOANSA-N

Compound name

tert-butyl (2S,3R)-2-amino-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 521
Patents: 175.12085 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.12813	140.3
[M+Na]+	198.11007	146.6
[M+NH4]+	193.15467	145.7
[M+K]+	214.08401	145.4
[M-H]-	174.11357	137.2
[M+Na-2H]-	196.09552	140.8
[M]+	175.12030	139.8
[M]-	175.12140	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe