CID 17759

2809-44-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 155.7
[M+Na]+ 239.151858 162.9
[M-H]- 215.155364 159.4
[M+NH4]+ 234.196463 172.6
[M+K]+ 255.125798 160.4
[M+H-H2O]+ 199.159900 142.5
[M+HCOO]- 261.160841 174.9
[M+CH3COO]- 275.176491 207.1
[M+Na-2H]- 237.137306 160.5
[M]+ 216.16209142 152.0
[M]- 216.16318858 152.0
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

patents stripe