CID 59132

101931-26-4

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CCOC1=CC=C(C2=CC=CC=C21)CN

InChI

InChI=1S/C13H15NO/c1-2-15-13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,2,9,14H2,1H3

InChIKey

SQXBARHNRUPULD-UHFFFAOYSA-N

Compound name

(4-ethoxynaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.11537 Da
Monoisotopic Mass: 2.4
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]+	202.122646	143.5
[M+Na]+	224.104588	151.7
[M-H]-	200.108094	147.8
[M+NH4]+	219.149193	163.7
[M+K]+	240.078528	148.2
[M+H-H2O]+	184.112630	137.2
[M+HCOO]-	246.113571	167.4
[M+CH3COO]-	260.129221	189.3
[M+Na-2H]-	222.090036	150.8
[M]+	201.11482142	144.2
[M]-	201.11591858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe