CID 17764

2809-50-9

Structural Information

Molecular Formula
C18H26N2
SMILES
CC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C18H26N2/c1-16(2)18(15-19,17-9-5-3-6-10-17)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKey
HEKDUNZUGUQWGW-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 171.4
[M+Na]+ 293.19882 182.1
[M+NH4]+ 288.24342 176.1
[M+K]+ 309.17276 171.5
[M-H]- 269.20232 167.3
[M+Na-2H]- 291.18427 175.2
[M]+ 270.20905 171.0
[M]- 270.21015 171.0
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.