CID 53211368

2138084-26-9

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

CCC1=NC2=C(S1)CNCC2

InChI

InChI=1S/C8H12N2S/c1-2-8-10-6-3-4-9-5-7(6)11-8/h9H,2-5H2,1H3

InChIKey

NGVYCZJXHKDYGL-UHFFFAOYSA-N

Compound name

2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 168.07211 Da
Monoisotopic Mass: 1.3
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]+	169.07939	134.6
[M+Na]+	191.06133	145.8
[M+NH4]+	186.10593	144.3
[M+K]+	207.03527	139.0
[M-H]-	167.06483	136.0
[M+Na-2H]-	189.04678	138.8
[M]+	168.07156	136.9
[M]-	168.07266	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe