CID 10104166

118736-08-6

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

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

InChI

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

InChIKey

JDVRUILJVSKUFH-UHFFFAOYSA-N

Compound name

2-methoxy-2-naphthalen-2-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	145.9
[M+Na]+	220.07328	156.3
[M-H]-	196.07678	149.7
[M+NH4]+	215.11788	164.2
[M+K]+	236.04722	151.0
[M+H-H2O]+	180.08132	133.4
[M+HCOO]-	242.08226	164.8
[M+CH3COO]-	256.09791	197.7
[M+Na-2H]-	218.05873	152.4
[M]+	197.08351	141.9
[M]-	197.08461	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe