CID 59145

101931-36-6

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

CCCOC1=CC=C(C2=CC=CC=C21)CN

InChI

InChI=1S/C14H17NO/c1-2-9-16-14-8-7-11(10-15)12-5-3-4-6-13(12)14/h3-8H,2,9-10,15H2,1H3

InChIKey

LVRISNAXBXTAST-UHFFFAOYSA-N

Compound name

(4-propoxynaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 215.13101 Da
Monoisotopic Mass: 2.9
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]+	216.13829	148.2
[M+Na]+	238.12023	156.0
[M-H]-	214.12373	152.3
[M+NH4]+	233.16483	167.8
[M+K]+	254.09417	152.2
[M+H-H2O]+	198.12827	141.6
[M+HCOO]-	260.12921	171.7
[M+CH3COO]-	274.14486	192.3
[M+Na-2H]-	236.10568	154.9
[M]+	215.13046	149.2
[M]-	215.13156	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe