CID 103752

2-phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile

Structural Information

Molecular Formula
C19H28N2
SMILES
CCC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C19H28N2/c1-3-17(2)19(16-20,18-10-6-4-7-11-18)12-15-21-13-8-5-9-14-21/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3
InChIKey
JHWFWJSHRYEDOF-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.22525 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 175.4
[M+Na]+ 307.21447 185.9
[M+NH4]+ 302.25907 179.9
[M+K]+ 323.18841 175.1
[M-H]- 283.21797 171.2
[M+Na-2H]- 305.19992 179.0
[M]+ 284.22470 174.9
[M]- 284.22580 174.9
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

patents stripe