CID 61935546

2-amino-2-methyl-3-(phenylsulfanyl)propanoic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CC(CSC1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C10H13NO2S/c1-10(11,9(12)13)7-14-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)

InChIKey

FXGMONODHFTVFP-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-3-phenylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.0667 Da
Monoisotopic Mass: -1.0
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]+	212.073976	146.2
[M+Na]+	234.055918	152.2
[M-H]-	210.059424	147.8
[M+NH4]+	229.100523	164.0
[M+K]+	250.029858	148.9
[M+H-H2O]+	194.063960	140.4
[M+HCOO]-	256.064901	162.0
[M+CH3COO]-	270.080551	184.1
[M+Na-2H]-	232.041366	149.1
[M]+	211.06615142	145.9
[M]-	211.06724858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.