CID 208012

31404-05-4

Structural Information

Molecular Formula

C₁₁H₁₅NS

SMILES

CCC1(NCCS1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NS/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3

InChIKey

IKYNTDBGTUVOSS-UHFFFAOYSA-N

Compound name

2-ethyl-2-phenyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.09251 Da
Monoisotopic Mass: 2.6
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]+	194.09979	142.5
[M+Na]+	216.08173	154.1
[M+NH4]+	211.12633	153.9
[M+K]+	232.05567	144.6
[M-H]-	192.08523	146.2
[M+Na-2H]-	214.06718	151.0
[M]+	193.09196	145.9
[M]-	193.09306	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe