CID 107154

4-(diethylamino)-2-phenylbutanenitrile

Structural Information

Molecular Formula
C14H20N2
SMILES
CCN(CC)CCC(C#N)C1=CC=CC=C1
InChI
InChI=1S/C14H20N2/c1-3-16(4-2)11-10-14(12-15)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
InChIKey
VZLDFHGDPJUSLD-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 153.9
[M+Na]+ 239.151858 160.6
[M-H]- 215.155364 157.4
[M+NH4]+ 234.196463 170.7
[M+K]+ 255.125798 157.9
[M+H-H2O]+ 199.159900 140.3
[M+HCOO]- 261.160841 173.6
[M+CH3COO]- 275.176491 207.6
[M+Na-2H]- 237.137306 157.3
[M]+ 216.16209142 150.1
[M]- 216.16318858 150.1
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