CID 119462

S-phenyl-l-cysteine

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1=CC=C(C=C1)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey

XYUBQWNJDIAEES-QMMMGPOBSA-N

Compound name

(2R)-2-amino-3-phenylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 266
Patents: 197.05106 Da
Monoisotopic Mass: -1.2
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]+	198.05834	141.1
[M+Na]+	220.04028	150.7
[M+NH4]+	215.08488	148.9
[M+K]+	236.01422	144.2
[M-H]-	196.04378	142.5
[M+Na-2H]-	218.02573	146.0
[M]+	197.05051	143.1
[M]-	197.05161	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe