CID 65271

S-(acetamidomethyl)-l-cysteine hcl

Structural Information

Molecular Formula

C₆H₁₂N₂O₃S

SMILES

CC(=O)NCSCC(C(=O)O)N

InChI

InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)

InChIKey

QFQYGJMNIDGZSG-UHFFFAOYSA-N

Compound name

3-(acetamidomethylsulfanyl)-2-aminopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1265
Patents: 192.05687 Da
Monoisotopic Mass: -3.3
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]+	193.06415	142.1
[M+Na]+	215.04609	147.0
[M+NH4]+	210.09069	147.4
[M+K]+	231.02003	143.4
[M-H]-	191.04959	139.8
[M+Na-2H]-	213.03154	141.9
[M]+	192.05632	141.9
[M]-	192.05742	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe