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]+ 245.201226 164.7
[M+Na]+ 267.183168 170.9
[M-H]- 243.186674 168.1
[M+NH4]+ 262.227773 180.5
[M+K]+ 283.157108 168.3
[M+H-H2O]+ 227.191210 151.2
[M+HCOO]- 289.192151 182.3
[M+CH3COO]- 303.207801 213.3
[M+Na-2H]- 265.168616 167.4
[M]+ 244.19340142 161.0
[M]- 244.19449858 161.0
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.