CID 18652473

Methyl 3-amino-2-methoxypropanoate hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CO[C@@H](CN)C(=O)OC

InChI

InChI=1S/C5H11NO3/c1-8-4(3-6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1

InChIKey

WSLCYSBHFJXVBA-BYPYZUCNSA-N

Compound name

methyl (2S)-3-amino-2-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 133.0739 Da
Monoisotopic Mass: -0.9
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]+	134.08118	127.1
[M+Na]+	156.06312	133.8
[M-H]-	132.06662	127.2
[M+NH4]+	151.10772	148.5
[M+K]+	172.03706	135.1
[M+H-H2O]+	116.07116	122.2
[M+HCOO]-	178.07210	150.6
[M+CH3COO]-	192.08775	174.4
[M+Na-2H]-	154.04857	131.3
[M]+	133.07335	128.4
[M]-	133.07445	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe