CID 59401689

4-phenyl-4-(pyrrolidin-1-yl)piperidine

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CCN(C1)C2(CCNCC2)C3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-6-14(7-3-1)15(8-10-16-11-9-15)17-12-4-5-13-17/h1-3,6-7,16H,4-5,8-13H2
InChIKey
CELGPXSFFNRYAY-UHFFFAOYSA-N
Compound name
4-phenyl-4-pyrrolidin-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

230.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 156.6
[M+Na]+ 253.167518 159.5
[M-H]- 229.171024 160.6
[M+NH4]+ 248.212123 173.7
[M+K]+ 269.141458 154.9
[M+H-H2O]+ 213.175560 147.0
[M+HCOO]- 275.176501 171.5
[M+CH3COO]- 289.192151 166.0
[M+Na-2H]- 251.152966 158.9
[M]+ 230.17775142 146.4
[M]- 230.17884858 146.4
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