CID 2402636

730997-87-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂OS

SMILES

CC1=C(SC(=N1)N2CCCCC2)C=O

InChI

InChI=1S/C10H14N2OS/c1-8-9(7-13)14-10(11-8)12-5-3-2-4-6-12/h7H,2-6H2,1H3

InChIKey

VMRLGMBBXTUOSO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 210.08269 Da
Monoisotopic Mass: 2.5
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]+	211.08997	145.9
[M+Na]+	233.07191	153.9
[M-H]-	209.07541	150.0
[M+NH4]+	228.11651	164.6
[M+K]+	249.04585	150.8
[M+H-H2O]+	193.07995	138.7
[M+HCOO]-	255.08089	161.0
[M+CH3COO]-	269.09654	183.5
[M+Na-2H]-	231.05736	145.7
[M]+	210.08214	145.1
[M]-	210.08324	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe