CID 28558

3-(methylamino)-(dl)-alanine

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

CNCC(C(=O)O)N

InChI

InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)

InChIKey

UJVHVMNGOZXSOZ-UHFFFAOYSA-N

Compound name

2-amino-3-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 440
References: 1134
Patents: 118.07423 Da
Monoisotopic Mass: -3.8
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]+	119.08151	124.3
[M+Na]+	141.06345	129.9
[M-H]-	117.06695	122.9
[M+NH4]+	136.10805	145.0
[M+K]+	157.03739	130.1
[M+H-H2O]+	101.07149	119.2
[M+HCOO]-	163.07243	147.2
[M+CH3COO]-	177.08808	172.4
[M+Na-2H]-	139.04890	128.5
[M]+	118.07368	121.0
[M]-	118.07478	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe