CID 24213893

952182-68-2

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

C1CCN(CC1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C9H12N2O2S/c12-8(13)7-6-14-9(10-7)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)

InChIKey

CTYVDXOBZLKERL-UHFFFAOYSA-N

Compound name

2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 212.06195 Da
Monoisotopic Mass: 2.1
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