CID 88980672

2375249-55-9

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

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

InChI

InChI=1S/C9H19NO3/c1-6(12-5)7(10)8(11)13-9(2,3)4/h6-7H,10H2,1-5H3/t6-,7+/m1/s1

InChIKey

QYNBQSPSAXYWJD-RQJHMYQMSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.13649 Da
Monoisotopic Mass: 0.5
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]+	190.14377	144.2
[M+Na]+	212.12571	150.9
[M+NH4]+	207.17031	149.8
[M+K]+	228.09965	149.1
[M-H]-	188.12921	141.6
[M+Na-2H]-	210.11116	145.0
[M]+	189.13594	144.0
[M]-	189.13704	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe