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

50
Patents

238.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.154276 155.3
[M+Na]+ 261.136218 161.2
[M-H]- 237.139724 161.6
[M+NH4]+ 256.180823 171.3
[M+K]+ 277.110158 156.3
[M+H-H2O]+ 221.144260 145.4
[M+HCOO]- 283.145201 175.7
[M+CH3COO]- 297.160851 166.7
[M+Na-2H]- 259.121666 159.1
[M]+ 238.14645142 151.7
[M]- 238.14754858 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