CID 3050855

2-(o-tolyl)thiazolidine

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CC1=CC=CC=C1C2NCCS2

InChI

InChI=1S/C10H13NS/c1-8-4-2-3-5-9(8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3

InChIKey

PMTWCGRBSWYLPK-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 179.07687 Da
Monoisotopic Mass: 2.2
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]+	180.08415	138.1
[M+Na]+	202.06609	150.1
[M+NH4]+	197.11069	148.2
[M+K]+	218.04003	142.7
[M-H]-	178.06959	142.0
[M+Na-2H]-	200.05154	145.0
[M]+	179.07632	141.4
[M]-	179.07742	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe