CID 131410600

5-(aminomethyl)-2-phenyl-1lambda6,2-thiazolidine-1,1-dione hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CN(S(=O)(=O)C1CN)C2=CC=CC=C2

InChI

InChI=1S/C10H14N2O2S/c11-8-10-6-7-12(15(10,13)14)9-4-2-1-3-5-9/h1-5,10H,6-8,11H2

InChIKey

KWIYIIBSVIIFCK-UHFFFAOYSA-N

Compound name

(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 0.9
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]+	227.084876	146.5
[M+Na]+	249.066818	155.5
[M-H]-	225.070324	152.0
[M+NH4]+	244.111423	167.3
[M+K]+	265.040758	151.8
[M+H-H2O]+	209.074860	140.4
[M+HCOO]-	271.075801	165.0
[M+CH3COO]-	285.091451	185.6
[M+Na-2H]-	247.052266	148.7
[M]+	226.07705142	146.0
[M]-	226.07814858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.