CID 16783065

927803-56-3

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

C1CC(CN(C1)C2=NC=CS2)C(=O)O

InChI

InChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)

InChIKey

HBUSXPMRNOKFBL-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.06195 Da
Monoisotopic Mass: 1.4
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]+	213.06923	145.5
[M+Na]+	235.05117	155.2
[M+NH4]+	230.09577	153.2
[M+K]+	251.02511	150.2
[M-H]-	211.05467	146.8
[M+Na-2H]-	233.03662	149.9
[M]+	212.06140	147.4
[M]-	212.06250	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe