CID 11040900

35023-55-3

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

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

InChI

InChI=1S/C5H11NO2/c1-4(6-2)5(7)8-3/h4,6H,1-3H3/t4-/m0/s1

InChIKey

PQIUHUKRJAOTLS-BYPYZUCNSA-N

Compound name

methyl (2S)-2-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 615
Patents: 117.07898 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]+	118.08626	123.9
[M+Na]+	140.06820	132.8
[M+NH4]+	135.11280	131.3
[M+K]+	156.04214	129.1
[M-H]-	116.07170	123.1
[M+Na-2H]-	138.05365	127.2
[M]+	117.07843	124.6
[M]-	117.07953	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe