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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.16992	155.0
[M+Na]+	239.15186	165.8
[M+NH4]+	234.19646	160.0
[M+K]+	255.12580	155.9
[M-H]-	215.15536	150.5
[M+Na-2H]-	237.13731	159.2
[M]+	216.16209	154.5
[M]-	216.16319	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe