CID 146050069

2413867-97-5

Structural Information

Molecular Formula
C11H16ClN3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC(=NO2)CCl
InChI
InChI=1S/C11H16ClN3O3/c1-11(2,3)17-10(16)15-5-7(6-15)9-13-8(4-12)14-18-9/h7H,4-6H2,1-3H3
InChIKey
IWNWLZHDUUJFRE-UHFFFAOYSA-N
Compound name
tert-butyl 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09528 155.2
[M+Na]+ 296.07722 162.5
[M-H]- 272.08072 158.4
[M+NH4]+ 291.12182 162.8
[M+K]+ 312.05116 164.1
[M+H-H2O]+ 256.08526 142.9
[M+HCOO]- 318.08620 166.9
[M+CH3COO]- 332.10185 197.2
[M+Na-2H]- 294.06267 158.1
[M]+ 273.08745 168.7
[M]- 273.08855 168.7
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.