CID 10176265

N-acetylcysteine amide

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

CC(=O)N[C@@H](CS)C(=O)N

InChI

InChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1

InChIKey

UJCHIZDEQZMODR-BYPYZUCNSA-N

Compound name

(2R)-2-acetamido-3-sulfanylpropanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 81
References: 8628
Patents: 162.0463 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]+	163.05358	134.3
[M+Na]+	185.03552	139.7
[M-H]-	161.03902	134.2
[M+NH4]+	180.08012	154.2
[M+K]+	201.00946	139.1
[M+H-H2O]+	145.04356	128.5
[M+HCOO]-	207.04450	151.8
[M+CH3COO]-	221.06015	181.2
[M+Na-2H]-	183.02097	134.3
[M]+	162.04575	133.9
[M]-	162.04685	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe