CID 3017642

66052-05-9

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

CCCCCCOC1=CC=C(C2=CC=CC=C21)C#N

InChI

InChI=1S/C17H19NO/c1-2-3-4-7-12-19-17-11-10-14(13-18)15-8-5-6-9-16(15)17/h5-6,8-11H,2-4,7,12H2,1H3

InChIKey

DYLLLOIDOOTBBM-UHFFFAOYSA-N

Compound name

4-hexoxynaphthalene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 253.14667 Da
Monoisotopic Mass: 5.2
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]+	254.153946	160.5
[M+Na]+	276.135888	170.5
[M-H]-	252.139394	163.9
[M+NH4]+	271.180493	177.1
[M+K]+	292.109828	163.9
[M+H-H2O]+	236.143930	147.4
[M+HCOO]-	298.144871	179.1
[M+CH3COO]-	312.160521	208.8
[M+Na-2H]-	274.121336	165.7
[M]+	253.14612142	158.7
[M]-	253.14721858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe