CID 10400018

500372-26-9

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

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

InChI

InChI=1S/C17H19NO/c1-2-3-6-11-19-17(13-18)16-10-9-14-7-4-5-8-15(14)12-16/h4-5,7-10,12,17H,2-3,6,11H2,1H3

InChIKey

AFNOPYUTGOKTHI-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yl-2-pentoxyacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.14667 Da
Monoisotopic Mass: 4.6
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]+	254.153946	162.2
[M+Na]+	276.135888	171.0
[M-H]-	252.139394	165.2
[M+NH4]+	271.180493	178.4
[M+K]+	292.109828	164.8
[M+H-H2O]+	236.143930	148.9
[M+HCOO]-	298.144871	179.8
[M+CH3COO]-	312.160521	208.5
[M+Na-2H]-	274.121336	166.7
[M]+	253.14612142	159.4
[M]-	253.14721858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe