CID 5019947

17386-15-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

CC1=NC(=CS1)CN2CCCCC2

InChI

InChI=1S/C10H16N2S/c1-9-11-10(8-13-9)7-12-5-3-2-4-6-12/h8H,2-7H2,1H3

InChIKey

WMNWJJGONMPIRP-UHFFFAOYSA-N

Compound name

2-methyl-4-(piperidin-1-ylmethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.10342 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]+	197.11070	143.1
[M+Na]+	219.09264	150.1
[M-H]-	195.09614	146.8
[M+NH4]+	214.13724	162.3
[M+K]+	235.06658	147.3
[M+H-H2O]+	179.10068	135.6
[M+HCOO]-	241.10162	157.8
[M+CH3COO]-	255.11727	155.2
[M+Na-2H]-	217.07809	143.5
[M]+	196.10287	141.2
[M]-	196.10397	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe