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]+ 183.068356 138.2
[M+Na]+ 205.050298 146.0
[M-H]- 181.053804 140.2
[M+NH4]+ 200.094903 157.0
[M+K]+ 221.024238 141.1
[M+H-H2O]+ 165.058340 130.8
[M+HCOO]- 227.059281 153.2
[M+CH3COO]- 241.074931 150.3
[M+Na-2H]- 203.035746 142.4
[M]+ 182.06053142 134.7
[M]- 182.06162858 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.