CID 1479774

129865-52-7

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

C1CCN(CC1)C2=NC=C(S2)C=O

InChI

InChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2

InChIKey

NWOAHSDBLWFXAG-UHFFFAOYSA-N

Compound name

2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 54
Patents: 196.06703 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]+	197.07431	142.5
[M+Na]+	219.05625	153.7
[M+NH4]+	214.10085	151.3
[M+K]+	235.03019	146.9
[M-H]-	195.05975	145.1
[M+Na-2H]-	217.04170	148.2
[M]+	196.06648	145.1
[M]-	196.06758	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe