CID 2546218

792954-13-3

Structural Information

Molecular Formula

C₁₀H₁₇N₃S

SMILES

CC1CCN(CC1)CC2=CSC(=N2)N

InChI

InChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)

InChIKey

WIYHPSFMAFAWFG-UHFFFAOYSA-N

Compound name

4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 211.11432 Da
Monoisotopic Mass: 1.8
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]+	212.121596	146.7
[M+Na]+	234.103538	153.7
[M-H]-	210.107044	150.2
[M+NH4]+	229.148143	164.9
[M+K]+	250.077478	150.2
[M+H-H2O]+	194.111580	139.2
[M+HCOO]-	256.112521	161.8
[M+CH3COO]-	270.128171	158.3
[M+Na-2H]-	232.088986	146.2
[M]+	211.11377142	143.6
[M]-	211.11486858	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.