CID 91654584

2-(azetidin-3-yl)-5-bromopyridine dihydrochloride

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1C(CN1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H9BrN2/c9-7-1-2-8(11-5-7)6-3-10-4-6/h1-2,5-6,10H,3-4H2
InChIKey
VVAWGZDWSPQMKG-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-5-bromopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.9949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 127.7
[M+Na]+ 234.984118 137.9
[M-H]- 210.987624 132.9
[M+NH4]+ 230.028723 141.0
[M+K]+ 250.958058 129.7
[M+H-H2O]+ 194.992160 122.4
[M+HCOO]- 256.993101 145.1
[M+CH3COO]- 271.008751 184.3
[M+Na-2H]- 232.969566 136.8
[M]+ 211.99435142 150.6
[M]- 211.99544858 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