CID 91910149

2613388-25-1

Structural Information

Molecular Formula
C17H23N3
SMILES
C1CNCC1C2CCN(CC2)CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C17H23N3/c18-11-14-1-3-15(4-2-14)13-20-9-6-16(7-10-20)17-5-8-19-12-17/h1-4,16-17,19H,5-10,12-13H2
InChIKey
NQUCPOLKPQGXRI-UHFFFAOYSA-N
Compound name
4-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.1892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 171.0
[M+Na]+ 292.17842 181.7
[M+NH4]+ 287.22302 175.7
[M+K]+ 308.15236 172.2
[M-H]- 268.18192 167.7
[M+Na-2H]- 290.16387 174.4
[M]+ 269.18865 170.6
[M]- 269.18975 170.6
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.