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]+ 256.11142 158.2
[M+Na]+ 278.09336 163.2
[M-H]- 254.09686 161.7
[M+NH4]+ 273.13796 167.9
[M+K]+ 294.06730 164.3
[M+H-H2O]+ 238.10140 145.1
[M+HCOO]- 300.10234 171.4
[M+CH3COO]- 314.11799 196.5
[M+Na-2H]- 276.07881 156.7
[M]+ 255.10359 167.9
[M]- 255.10469 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.