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 169.0
[M+Na]+ 293.19882 173.8
[M-H]- 269.20232 171.3
[M+NH4]+ 288.24342 181.6
[M+K]+ 309.17276 168.2
[M+H-H2O]+ 253.20686 154.1
[M+HCOO]- 315.20780 180.9
[M+CH3COO]- 329.22345 210.4
[M+Na-2H]- 291.18427 171.0
[M]+ 270.20905 159.7
[M]- 270.21015 159.7
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