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

64
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 125.9
[M+Na]+ 234.98412 136.6
[M-H]- 210.98762 132.4
[M+NH4]+ 230.02872 139.9
[M+K]+ 250.95806 129.2
[M+H-H2O]+ 194.99216 120.6
[M+HCOO]- 256.99310 144.7
[M+CH3COO]- 271.00875 186.7
[M+Na-2H]- 232.96957 135.6
[M]+ 211.99435 150.6
[M]- 211.99545 150.6
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