CID 2779264

1-benzyl-4-(1h-pyrrol-1-yl)piperidine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CN(CCC1N2C=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
InChIKey
UPRFZLANTXURKF-UHFFFAOYSA-N
Compound name
1-benzyl-4-pyrrol-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 158.9
[M+Na]+ 263.15186 172.6
[M+NH4]+ 258.19646 168.3
[M+K]+ 279.12580 165.5
[M-H]- 239.15536 164.6
[M+Na-2H]- 261.13731 168.5
[M]+ 240.16209 162.5
[M]- 240.16319 162.5
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

No patent data available for this compound.