CID 165760256

2758005-14-8

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=NC=CS2)N
InChI
InChI=1S/C11H17N3O2S/c1-10(2,3)16-9(15)14-6-11(12,7-14)8-13-4-5-17-8/h4-5H,6-7,12H2,1-3H3
InChIKey
VYTFXNVLTWUFMG-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(1,3-thiazol-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10414 Da
Monoisotopic Mass

0.4
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 169.6
[M+K]+ 294.067298 164.5
[M+H-H2O]+ 238.101400 146.2
[M+HCOO]- 300.102341 171.5
[M+CH3COO]- 314.117991 194.9
[M+Na-2H]- 276.078806 158.9
[M]+ 255.10359142 168.0
[M]- 255.10468858 168.0
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.