CID 154380

57964-40-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

C1CC(C2=CC=CC=C2C1CCC#N)C#N

InChI

InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2

InChIKey

JRUGFHHEKLYFPC-UHFFFAOYSA-N

Compound name

4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.11569 Da
Monoisotopic Mass: 2.4
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]+	211.12297	176.4
[M+Na]+	233.10491	185.5
[M+NH4]+	228.14951	178.0
[M+K]+	249.07885	173.3
[M-H]-	209.10841	167.4
[M+Na-2H]-	231.09036	175.4
[M]+	210.11514	173.9
[M]-	210.11624	173.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.