CID 201638

6450-83-5

Structural Information

Molecular Formula
C16H24N2
SMILES
CC(C)C(CCCN(C)C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C16H24N2/c1-14(2)16(13-17,11-8-12-18(3)4)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-12H2,1-4H3
InChIKey
INCZXTDTLFGHGG-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 162.8
[M+Na]+ 267.18317 172.9
[M+NH4]+ 262.22777 167.3
[M+K]+ 283.15711 163.4
[M-H]- 243.18667 158.0
[M+Na-2H]- 265.16862 166.2
[M]+ 244.19340 162.1
[M]- 244.19450 162.1
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.