CID 202202

7739-01-7

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CN1CCSC1C2=CC=CC=C2

InChI

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

InChIKey

MZXDFRDYHHUXNM-UHFFFAOYSA-N

Compound name

3-methyl-2-phenyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 179.07687 Da
Monoisotopic Mass: 2.3
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]+	180.08415	137.3
[M+Na]+	202.06609	145.4
[M-H]-	178.06959	143.0
[M+NH4]+	197.11069	158.7
[M+K]+	218.04003	142.4
[M+H-H2O]+	162.07413	130.9
[M+HCOO]-	224.07507	154.8
[M+CH3COO]-	238.09072	150.8
[M+Na-2H]-	200.05154	138.9
[M]+	179.07632	136.4
[M]-	179.07742	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe