CID 2825904

4949-02-4

Structural Information

Molecular Formula

C₁₄H₁₀N₂

SMILES

C1=CC2=C(C=CC(=C2)CC#N)C=C1CC#N

InChI

InChI=1S/C14H10N2/c15-7-5-11-1-3-13-10-12(6-8-16)2-4-14(13)9-11/h1-4,9-10H,5-6H2

InChIKey

RZWVWBONNSEWDU-UHFFFAOYSA-N

Compound name

2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 206.0844 Da
Monoisotopic Mass: 2.9
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]+	207.09168	160.3
[M+Na]+	229.07362	171.6
[M-H]-	205.07712	163.9
[M+NH4]+	224.11822	173.6
[M+K]+	245.04756	164.3
[M+H-H2O]+	189.08166	145.3
[M+HCOO]-	251.08260	172.5
[M+CH3COO]-	265.09825	168.0
[M+Na-2H]-	227.05907	163.4
[M]+	206.08385	152.7
[M]-	206.08495	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe