CID 177799423

Tert-butyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂S

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2=CSC(=N2)NC

InChI

InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-5-8(6-15)9-7-18-10(13-4)14-9/h7-8H,5-6H2,1-4H3,(H,13,14)

InChIKey

IWRIWEDOAIBMPY-UHFFFAOYSA-N

Compound name

tert-butyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1198 Da
Monoisotopic Mass: 2.0
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]+	270.127076	161.9
[M+Na]+	292.109018	166.5
[M-H]-	268.112524	165.7
[M+NH4]+	287.153623	171.3
[M+K]+	308.082958	167.7
[M+H-H2O]+	252.117060	148.6
[M+HCOO]-	314.118001	175.4
[M+CH3COO]-	328.133651	200.0
[M+Na-2H]-	290.094466	161.0
[M]+	269.11925142	172.9
[M]-	269.12034858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.