CID 104053769

1692418-05-5

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₃S

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C2=CN=C(S2)N)O

InChI

InChI=1S/C11H17N3O3S/c1-10(2,3)17-9(15)14-5-11(16,6-14)7-4-13-8(12)18-7/h4,16H,5-6H2,1-3H3,(H2,12,13)

InChIKey

ZPEBMWJCGLNWMN-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-amino-1,3-thiazol-5-yl)-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.09906 Da
Monoisotopic Mass: 0.3
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]+	272.106336	162.2
[M+Na]+	294.088278	167.0
[M-H]-	270.091784	164.4
[M+NH4]+	289.132883	172.3
[M+K]+	310.062218	168.1
[M+H-H2O]+	254.096320	150.5
[M+HCOO]-	316.097261	174.0
[M+CH3COO]-	330.112911	195.8
[M+Na-2H]-	292.073726	162.0
[M]+	271.09851142	171.8
[M]-	271.09960858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.