CID 13048727

1822434-44-5

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

CCNC(=O)C(CSC)NC(=O)C

InChI

InChI=1S/C8H16N2O2S/c1-4-9-8(12)7(5-13-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)

InChIKey

MGYFMGITJVIKQQ-UHFFFAOYSA-N

Compound name

2-acetamido-N-ethyl-3-methylsulfanylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.09325 Da
Monoisotopic Mass: -0.1
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]+	205.10053	148.0
[M+Na]+	227.08247	153.9
[M+NH4]+	222.12707	154.2
[M+K]+	243.05641	148.7
[M-H]-	203.08597	146.9
[M+Na-2H]-	225.06792	148.9
[M]+	204.09270	148.4
[M]-	204.09380	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe