CID 6481

Isoaminile

Structural Information

Molecular Formula
C16H24N2
SMILES
CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3
InChIKey
WFLSCFISQHLEED-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

732
Patents

244.19395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 165.4
[M+Na]+ 267.18317 171.3
[M-H]- 243.18667 168.9
[M+NH4]+ 262.22777 181.1
[M+K]+ 283.15711 169.2
[M+H-H2O]+ 227.19121 152.1
[M+HCOO]- 289.19215 182.1
[M+CH3COO]- 303.20780 214.0
[M+Na-2H]- 265.16862 166.9
[M]+ 244.19340 161.2
[M]- 244.19450 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe