CID 415686

4983-38-4

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CCN(C1)C2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-7,16H,4-5,8-14H2
InChIKey
MJCJSVVXJWKCAQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-pyrrolidin-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.19395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 160.3
[M+Na]+ 267.183168 163.0
[M-H]- 243.186674 165.3
[M+NH4]+ 262.227773 175.7
[M+K]+ 283.157108 158.8
[M+H-H2O]+ 227.191210 150.1
[M+HCOO]- 289.192151 176.2
[M+CH3COO]- 303.207801 169.8
[M+Na-2H]- 265.168616 160.8
[M]+ 244.19340142 152.3
[M]- 244.19449858 152.3
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