CID 14689

1232-82-2

Structural Information

Molecular Formula
C20H24N2
SMILES
CC(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H24N2/c1-20(16-21,12-15-22-13-5-2-6-14-22)19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,2,5-6,12-15H2,1H3
InChIKey
YUSWYJYIUHSAKO-UHFFFAOYSA-N
Compound name
2-methyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
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 178.4
[M+Na]+ 315.18316 191.0
[M+NH4]+ 310.22776 183.9
[M+K]+ 331.15710 178.8
[M-H]- 291.18666 175.4
[M+Na-2H]- 313.16861 182.9
[M]+ 292.19339 178.7
[M]- 292.19449 178.7
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.