CID 11264068

7-methoxy-1-naphthylacetonitrile

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

COC1=CC2=C(C=CC=C2CC#N)C=C1

InChI

InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3

InChIKey

PYJMGUQHJINLLD-UHFFFAOYSA-N

Compound name

2-(7-methoxynaphthalen-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 595
Patents: 197.08406 Da
Monoisotopic Mass: 2.8
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]+	198.09134	145.0
[M+Na]+	220.07328	159.3
[M+NH4]+	215.11788	151.2
[M+K]+	236.04722	148.0
[M-H]-	196.07678	141.3
[M+Na-2H]-	218.05873	150.2
[M]+	197.08351	145.3
[M]-	197.08461	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe