CID 138987333

1146085-16-6

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]+ 256.111416 158.2
[M+Na]+ 278.093358 163.2
[M-H]- 254.096864 161.7
[M+NH4]+ 273.137963 167.9
[M+K]+ 294.067298 164.3
[M+H-H2O]+ 238.101400 145.1
[M+HCOO]- 300.102341 171.4
[M+CH3COO]- 314.117991 196.5
[M+Na-2H]- 276.078806 156.7
[M]+ 255.10359142 167.9
[M]- 255.10468858 167.9
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.