CID 62479703

Tert-butyl 2-amino-4-methoxybutanoate hydrochloride

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(C)(C)OC(=O)C(CCOC)N

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7(10)5-6-12-4/h7H,5-6,10H2,1-4H3

InChIKey

WJLDSEGXLTUEPU-UHFFFAOYSA-N

Compound name

tert-butyl 2-amino-4-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.13649 Da
Monoisotopic Mass: 0.4
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	144.1
[M+Na]+	212.12571	151.2
[M+NH4]+	207.17031	149.9
[M+K]+	228.09965	148.6
[M-H]-	188.12921	141.8
[M+Na-2H]-	210.11116	145.4
[M]+	189.13594	144.1
[M]-	189.13704	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe