CID 10034922

2-amino-n-methyl-4-(methylsulfanyl)butanamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CNC(=O)C(CCSC)N

InChI

InChI=1S/C6H14N2OS/c1-8-6(9)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3,(H,8,9)

InChIKey

IRZOJKYRJZTMOW-UHFFFAOYSA-N

Compound name

2-amino-N-methyl-4-methylsulfanylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 162.08269 Da
Monoisotopic Mass: -0.3
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]+	163.089966	136.2
[M+Na]+	185.071908	141.3
[M-H]-	161.075414	135.8
[M+NH4]+	180.116513	156.4
[M+K]+	201.045848	140.0
[M+H-H2O]+	145.079950	130.3
[M+HCOO]-	207.080891	153.9
[M+CH3COO]-	221.096541	182.1
[M+Na-2H]-	183.057356	136.8
[M]+	162.08214142	136.0
[M]-	162.08323858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe