CID 4403815

3-bromo-5-(pyrrolidin-2-yl)pyridine

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1CC(NC1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H11BrN2/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2
InChIKey
APOQHGHGEPQGOO-UHFFFAOYSA-N
Compound name
3-bromo-5-pyrrolidin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

226.01056 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 143.2
[M+Na]+ 248.999778 153.7
[M-H]- 225.003284 148.4
[M+NH4]+ 244.044383 163.4
[M+K]+ 264.973718 142.2
[M+H-H2O]+ 209.007820 142.4
[M+HCOO]- 271.008761 161.0
[M+CH3COO]- 285.024411 157.2
[M+Na-2H]- 246.985226 149.1
[M]+ 226.01001142 157.1
[M]- 226.01110858 157.1
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