CID 24229290

690261-84-8

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₂S

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=N2)N

InChI

InChI=1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)10-8-19-11(14)15-10/h8-9H,4-7H2,1-3H3,(H2,14,15)

InChIKey

SUVKCAMIECRTNV-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 283.13544 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]+	284.142716	167.7
[M+Na]+	306.124658	173.4
[M-H]-	282.128164	171.1
[M+NH4]+	301.169263	183.0
[M+K]+	322.098598	170.7
[M+H-H2O]+	266.132700	160.4
[M+HCOO]-	328.133641	179.8
[M+CH3COO]-	342.149291	198.1
[M+Na-2H]-	304.110106	166.0
[M]+	283.13489142	166.4
[M]-	283.13598858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe