CID 10468522

500372-25-8

Structural Information

Molecular Formula

C₁₉H₁₅NO

SMILES

C1=CC=C(C=C1)COC(C#N)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H15NO/c20-13-19(21-14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,14H2

InChIKey

SLMXQIWKVZNVSR-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yl-2-phenylmethoxyacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 273.11536 Da
Monoisotopic Mass: 4.3
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]+	274.122636	169.7
[M+Na]+	296.104578	179.2
[M-H]-	272.108084	174.9
[M+NH4]+	291.149183	184.4
[M+K]+	312.078518	170.8
[M+H-H2O]+	256.112620	155.1
[M+HCOO]-	318.113561	187.6
[M+CH3COO]-	332.129211	179.4
[M+Na-2H]-	294.090026	174.8
[M]+	273.11481142	164.7
[M]-	273.11590858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe