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]+ 217.16992 155.7
[M+Na]+ 239.15186 162.9
[M-H]- 215.15536 159.4
[M+NH4]+ 234.19646 172.6
[M+K]+ 255.12580 160.4
[M+H-H2O]+ 199.15990 142.5
[M+HCOO]- 261.16084 174.9
[M+CH3COO]- 275.17649 207.1
[M+Na-2H]- 237.13731 160.5
[M]+ 216.16209 152.0
[M]- 216.16319 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