CID 18329833

2-(azetidin-1-yl)-5-bromopyridine

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CN(C1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H9BrN2/c9-7-2-3-8(10-6-7)11-4-1-5-11/h2-3,6H,1,4-5H2
InChIKey
LBSNUAQAYRFPQA-UHFFFAOYSA-N
Compound name
2-(azetidin-1-yl)-5-bromopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

211.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 133.6
[M+Na]+ 234.98412 134.4
[M+NH4]+ 230.02872 135.7
[M+K]+ 250.95806 135.5
[M-H]- 210.98762 132.8
[M+Na-2H]- 232.96957 137.0
[M]+ 211.99435 131.4
[M]- 211.99545 131.4
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

patents stripe