CID 155859106

2580190-00-5

Structural Information

Molecular Formula
C12H15ClN2O3S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)C2=CN=C(S2)Cl
InChI
InChI=1S/C12H15ClN2O3S/c1-12(2,3)18-11(17)15-5-7(6-15)9(16)8-4-14-10(13)19-8/h4,7H,5-6H2,1-3H3
InChIKey
RTLANGVQUHFVRR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-chloro-1,3-thiazole-5-carbonyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0492 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05648 162.6
[M+Na]+ 325.03842 167.7
[M+NH4]+ 320.08302 164.9
[M+K]+ 341.01236 165.9
[M-H]- 301.04192 159.4
[M+Na-2H]- 323.02387 163.2
[M]+ 302.04865 161.7
[M]- 302.04975 161.7
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.