CID 10262571

33224-80-5

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

CCOC(C#N)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H13NO/c1-2-16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2H2,1H3

InChIKey

SERAXWXRCADJHK-UHFFFAOYSA-N

Compound name

2-ethoxy-2-naphthalen-2-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.09972 Da
Monoisotopic Mass: 3.2
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]+	212.106996	150.0
[M+Na]+	234.088938	160.0
[M-H]-	210.092444	153.6
[M+NH4]+	229.133543	167.8
[M+K]+	250.062878	154.5
[M+H-H2O]+	194.096980	137.3
[M+HCOO]-	256.097921	168.6
[M+CH3COO]-	270.113571	200.4
[M+Na-2H]-	232.074386	156.0
[M]+	211.09917142	146.3
[M]-	211.10026858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe