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

58
Patents

226.01056 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 143.2
[M+Na]+ 248.99978 153.7
[M-H]- 225.00328 148.4
[M+NH4]+ 244.04438 163.4
[M+K]+ 264.97372 142.2
[M+H-H2O]+ 209.00782 142.4
[M+HCOO]- 271.00876 161.0
[M+CH3COO]- 285.02441 157.2
[M+Na-2H]- 246.98523 149.1
[M]+ 226.01001 157.1
[M]- 226.01111 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