CID 120795

770-86-5

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CC1(NCCS1)C2=CC=CC=C2

InChI

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

InChIKey

XJJXLHLQVUIRFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 179.07687 Da
Monoisotopic Mass: 2.0
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]+	180.08415	138.2
[M+Na]+	202.06609	150.0
[M+NH4]+	197.11069	149.7
[M+K]+	218.04003	140.7
[M-H]-	178.06959	141.9
[M+Na-2H]-	200.05154	146.9
[M]+	179.07632	141.6
[M]-	179.07742	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe