CID 5288725

N-methyl-l-alanine

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

InChIKey

GDFAOVXKHJXLEI-VKHMYHEASA-N

Compound name

(2S)-2-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 37
References: 20389
Patents: 103.06333 Da
Monoisotopic Mass: -2.5
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]+	104.07061	119.9
[M+Na]+	126.05255	126.5
[M-H]-	102.05605	119.2
[M+NH4]+	121.09715	142.0
[M+K]+	142.02649	127.0
[M+H-H2O]+	86.060590	115.6
[M+HCOO]-	148.06153	142.5
[M+CH3COO]-	162.07718	168.0
[M+Na-2H]-	124.03800	125.1
[M]+	103.06278	118.5
[M]-	103.06388	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe