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 161.8
[M+Na]+ 325.03842 167.9
[M-H]- 301.04192 165.9
[M+NH4]+ 320.08302 171.0
[M+K]+ 341.01236 167.9
[M+H-H2O]+ 285.04646 150.1
[M+HCOO]- 347.04740 169.5
[M+CH3COO]- 361.06305 200.8
[M+Na-2H]- 323.02387 159.6
[M]+ 302.04865 175.5
[M]- 302.04975 175.5
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.