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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 161.1
[M+Na]+ 294.08828 163.8
[M+NH4]+ 289.13288 163.9
[M+K]+ 310.06222 161.6
[M-H]- 270.09178 157.6
[M+Na-2H]- 292.07373 162.4
[M]+ 271.09851 159.5
[M]- 271.09961 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.