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]+	197.074306	141.6
[M+Na]+	219.056248	149.2
[M-H]-	195.059754	145.5
[M+NH4]+	214.100853	160.5
[M+K]+	235.030188	146.4
[M+H-H2O]+	179.064290	134.3
[M+HCOO]-	241.065231	157.0
[M+CH3COO]-	255.080881	153.9
[M+Na-2H]-	217.041696	142.6
[M]+	196.06648142	140.0
[M]-	196.06757858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe