CID 57935959

692756-87-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CCOC(=O)C1=CSC(=N1)C2CCNCC2

InChI

InChI=1S/C11H16N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3

InChIKey

LHNMNSLNPGLLEM-UHFFFAOYSA-N

Compound name

ethyl 2-piperidin-4-yl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 240.09325 Da
Monoisotopic Mass: 1.7
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]+	241.100526	154.3
[M+Na]+	263.082468	160.1
[M-H]-	239.085974	156.5
[M+NH4]+	258.127073	170.7
[M+K]+	279.056408	156.9
[M+H-H2O]+	223.090510	146.9
[M+HCOO]-	285.091451	166.8
[M+CH3COO]-	299.107101	185.0
[M+Na-2H]-	261.067916	153.0
[M]+	240.09270142	152.4
[M]-	240.09379858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe