CID 3058932

Noname_3176

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CC1=CC(=CC=C1)C2NCCS2

InChI

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

InChIKey

XGRWDOHURTVHMY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.07687 Da
Monoisotopic Mass: 1.8
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]+	180.084146	137.6
[M+Na]+	202.066088	145.2
[M-H]-	178.069594	141.8
[M+NH4]+	197.110693	158.2
[M+K]+	218.040028	141.3
[M+H-H2O]+	162.074130	131.5
[M+HCOO]-	224.075071	153.6
[M+CH3COO]-	238.090721	150.4
[M+Na-2H]-	200.051536	138.8
[M]+	179.07632142	134.8
[M]-	179.07741858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe