CID 14171

1092-11-1

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CCN(CC1)CCC(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H22N2/c20-15-17(11-14-21-12-4-1-5-13-21)19-10-6-8-16-7-2-3-9-18(16)19/h2-3,6-10,17H,1,4-5,11-14H2
InChIKey
MXQCLDABRUMZOD-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 168.3
[M+Na]+ 301.16750 174.9
[M-H]- 277.17100 171.2
[M+NH4]+ 296.21210 181.4
[M+K]+ 317.14144 166.4
[M+H-H2O]+ 261.17554 152.8
[M+HCOO]- 323.17648 181.0
[M+CH3COO]- 337.19213 176.2
[M+Na-2H]- 299.15295 171.3
[M]+ 278.17773 158.7
[M]- 278.17883 158.7
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

patents stripe