CID 10955622

2-(1-benzylpyrrolidin-3-yl)pyridine

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CN(CC1C2=CC=CC=N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-6-14(7-3-1)12-18-11-9-15(13-18)16-8-4-5-10-17-16/h1-8,10,15H,9,11-13H2
InChIKey
LJPFYXCQPUZKQA-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrrolidin-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

238.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 155.3
[M+Na]+ 261.13622 161.2
[M-H]- 237.13972 161.6
[M+NH4]+ 256.18082 171.3
[M+K]+ 277.11016 156.3
[M+H-H2O]+ 221.14426 145.4
[M+HCOO]- 283.14520 175.7
[M+CH3COO]- 297.16085 166.7
[M+Na-2H]- 259.12167 159.1
[M]+ 238.14645 151.7
[M]- 238.14755 151.7
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

patents stripe