CID 536763

N-acetyl-dl-methioninamide

Structural Information

Molecular Formula

C₇H₁₄N₂O₂S

SMILES

CC(=O)NC(CCSC)C(=O)N

InChI

InChI=1S/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)

InChIKey

AJQATZBTQNYZFO-UHFFFAOYSA-N

Compound name

2-acetamido-4-methylsulfanylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 190.0776 Da
Monoisotopic Mass: -0.6
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]+	191.08488	143.2
[M+Na]+	213.06682	147.8
[M-H]-	189.07032	142.7
[M+NH4]+	208.11142	162.0
[M+K]+	229.04076	146.6
[M+H-H2O]+	173.07486	137.0
[M+HCOO]-	235.07580	160.0
[M+CH3COO]-	249.09145	187.2
[M+Na-2H]-	211.05227	142.3
[M]+	190.07705	143.5
[M]-	190.07815	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe