CID 53651038

Ethyl 3-amino-2-hydroxybutanoate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CCOC(=O)C(C(C)N)O

InChI

InChI=1S/C6H13NO3/c1-3-10-6(9)5(8)4(2)7/h4-5,8H,3,7H2,1-2H3

InChIKey

AMRCJIKFUHUEIT-UHFFFAOYSA-N

Compound name

ethyl 3-amino-2-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 147.08954 Da
Monoisotopic Mass: -0.6
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]+	148.09682	132.0
[M+Na]+	170.07876	139.0
[M+NH4]+	165.12336	137.9
[M+K]+	186.05270	136.9
[M-H]-	146.08226	129.6
[M+Na-2H]-	168.06421	133.0
[M]+	147.08899	131.7
[M]-	147.09009	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe