CID 92446477

2193102-60-0

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C[C@H](CC(=O)OC)NC

InChI

InChI=1S/C6H13NO2/c1-5(7-2)4-6(8)9-3/h5,7H,4H2,1-3H3/t5-/m1/s1

InChIKey

HMEOAJAQJYMXBL-RXMQYKEDSA-N

Compound name

methyl (3R)-3-(methylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 131.09464 Da
Monoisotopic Mass: 0.1
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]+	132.10192	128.3
[M+Na]+	154.08386	137.0
[M+NH4]+	149.12846	135.5
[M+K]+	170.05780	133.0
[M-H]-	130.08736	127.5
[M+Na-2H]-	152.06931	131.3
[M]+	131.09409	128.9
[M]-	131.09519	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe