CID 120769

700-93-6

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

C1CSC(N1)C2=CN=CC=C2

InChI

InChI=1S/C8H10N2S/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6,8,10H,4-5H2

InChIKey

SMYGUEYUDFIZCL-UHFFFAOYSA-N

Compound name

2-pyridin-3-yl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 166.05647 Da
Monoisotopic Mass: 0.8
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]+	167.063746	132.8
[M+Na]+	189.045688	140.5
[M-H]-	165.049194	135.5
[M+NH4]+	184.090293	152.2
[M+K]+	205.019628	136.9
[M+H-H2O]+	149.053730	125.8
[M+HCOO]-	211.054671	148.2
[M+CH3COO]-	225.070321	145.3
[M+Na-2H]-	187.031136	135.5
[M]+	166.05592142	129.4
[M]-	166.05701858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe