CID 23563340

2-(methylamino)-4-(methylsulfanyl)butanamide

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CNC(CCSC)C(=O)N

InChI

InChI=1S/C6H14N2OS/c1-8-5(6(7)9)3-4-10-2/h5,8H,3-4H2,1-2H3,(H2,7,9)

InChIKey

JBYSNNKPWGZSDM-UHFFFAOYSA-N

Compound name

2-(methylamino)-4-methylsulfanylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 162.08269 Da
Monoisotopic Mass: -0.2
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	135.9
[M+Na]+	185.071908	141.0
[M-H]-	161.075414	135.5
[M+NH4]+	180.116513	156.0
[M+K]+	201.045848	139.7
[M+H-H2O]+	145.079950	130.0
[M+HCOO]-	207.080891	153.6
[M+CH3COO]-	221.096541	182.8
[M+Na-2H]-	183.057356	136.6
[M]+	162.08214142	135.9
[M]-	162.08323858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe