CID 25873

13326-35-7

Structural Information

Molecular Formula
C20H24N2
SMILES
C1CCN(CC1)CCCC(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H24N2/c21-16-18(10-7-15-22-13-4-1-5-14-22)20-12-6-9-17-8-2-3-11-19(17)20/h2-3,6,8-9,11-12,18H,1,4-5,7,10,13-15H2
InChIKey
BTRXWGPTVKXTBE-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-piperidin-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 172.2
[M+Na]+ 315.18316 178.3
[M-H]- 291.18666 174.8
[M+NH4]+ 310.22776 184.8
[M+K]+ 331.15710 169.6
[M+H-H2O]+ 275.19120 156.5
[M+HCOO]- 337.19214 184.6
[M+CH3COO]- 351.20779 179.7
[M+Na-2H]- 313.16861 174.7
[M]+ 292.19339 162.9
[M]- 292.19449 162.9
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

No patent data available for this compound.