CID 138987333

Tert-butyl 3-(2-amino-1,3-thiazol-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CSC(=N2)N
InChI
InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-4-7(5-14)8-6-17-9(12)13-8/h6-7H,4-5H2,1-3H3,(H2,12,13)
InChIKey
AXHHLAJHMAZEED-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1,3-thiazol-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11142 157.8
[M+Na]+ 278.09336 161.4
[M+NH4]+ 273.13796 160.1
[M+K]+ 294.06730 160.0
[M-H]- 254.09686 155.4
[M+Na-2H]- 276.07881 158.3
[M]+ 255.10359 156.5
[M]- 255.10469 156.5
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.