CID 17766

2809-54-3

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

CN(C)CCC(C#N)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C16H18N2/c1-18(2)11-10-14(12-17)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14H,10-11H2,1-2H3

InChIKey

XWDJWSFNFKEVBR-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-naphthalen-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.147 Da
Monoisotopic Mass: 3.3
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]+	239.15428	160.6
[M+Na]+	261.13622	173.0
[M+NH4]+	256.18082	166.4
[M+K]+	277.11016	161.8
[M-H]-	237.13972	157.4
[M+Na-2H]-	259.12167	165.0
[M]+	238.14645	160.7
[M]-	238.14755	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe