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]+ 256.11142 158.2
[M+Na]+ 278.09336 163.2
[M-H]- 254.09686 161.7
[M+NH4]+ 273.13796 169.6
[M+K]+ 294.06730 164.5
[M+H-H2O]+ 238.10140 146.2
[M+HCOO]- 300.10234 171.5
[M+CH3COO]- 314.11799 194.9
[M+Na-2H]- 276.07881 158.9
[M]+ 255.10359 168.0
[M]- 255.10469 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.