CID 71777849

Tert-butyl 3-[(6-chloropyridazin-3-yl)oxy]azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H16ClN3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)OC2=NN=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN3O3/c1-12(2,3)19-11(17)16-6-8(7-16)18-10-5-4-9(13)14-15-10/h4-5,8H,6-7H2,1-3H3
InChIKey
PSUBIPCFWGBXDS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(6-chloropyridazin-3-yl)oxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.088 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09528 159.6
[M+Na]+ 308.07722 166.9
[M-H]- 284.08072 161.9
[M+NH4]+ 303.12182 166.1
[M+K]+ 324.05116 167.2
[M+H-H2O]+ 268.08526 146.2
[M+HCOO]- 330.08620 171.2
[M+CH3COO]- 344.10185 200.1
[M+Na-2H]- 306.06267 163.7
[M]+ 285.08745 172.3
[M]- 285.08855 172.3
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.