CID 238317

2-(2-pyrrolidinoethyl)pyridine

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CCN(C1)CCC2=CC=CC=N2
InChI
InChI=1S/C11H16N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h1-2,5,7H,3-4,6,8-10H2
InChIKey
OXEFHEYEQUISKC-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

176.13135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.7
[M+Na]+ 199.120568 145.5
[M-H]- 175.124074 142.7
[M+NH4]+ 194.165173 158.4
[M+K]+ 215.094508 142.8
[M+H-H2O]+ 159.128610 131.1
[M+HCOO]- 221.129551 160.3
[M+CH3COO]- 235.145201 151.9
[M+Na-2H]- 197.106016 144.7
[M]+ 176.13080142 136.6
[M]- 176.13189858 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe