CID 61936347

3-methoxy-2-methyl-2-(methylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(COC)(C(=O)O)NC

InChI

InChI=1S/C6H13NO3/c1-6(7-2,4-10-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)

InChIKey

HSVICUJFOGROHN-UHFFFAOYSA-N

Compound name

3-methoxy-2-methyl-2-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 147.08954 Da
Monoisotopic Mass: -2.8
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	131.0
[M+Na]+	170.07876	137.4
[M-H]-	146.08226	130.1
[M+NH4]+	165.12336	151.4
[M+K]+	186.05270	137.8
[M+H-H2O]+	130.08680	126.7
[M+HCOO]-	192.08774	152.7
[M+CH3COO]-	206.10339	175.5
[M+Na-2H]-	168.06421	137.2
[M]+	147.08899	132.0
[M]-	147.09009	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe