CID 3461809

4-chloro-2-(pyrrolidin-2-yl)pyridine dihydrochloride

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CC(NC1)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-7-3-5-12-9(6-7)8-2-1-4-11-8/h3,5-6,8,11H,1-2,4H2
InChIKey
VLEJSEDGAYEPST-UHFFFAOYSA-N
Compound name
4-chloro-2-pyrrolidin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 138.2
[M+Na]+ 205.05030 146.0
[M-H]- 181.05380 140.2
[M+NH4]+ 200.09490 157.0
[M+K]+ 221.02424 141.1
[M+H-H2O]+ 165.05834 130.8
[M+HCOO]- 227.05928 153.2
[M+CH3COO]- 241.07493 150.3
[M+Na-2H]- 203.03575 142.4
[M]+ 182.06053 134.7
[M]- 182.06163 134.7
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

No patent data available for this compound.