CID 50989745

[3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C#CCOC1=CC=CC(=C1)CN

InChI

InChI=1S/C10H11NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7H,6,8,11H2

InChIKey

HJRRIIDDJBGOMW-UHFFFAOYSA-N

Compound name

(3-prop-2-ynoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.08406 Da
Monoisotopic Mass: 1.0
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]+	162.091336	135.8
[M+Na]+	184.073278	145.6
[M-H]-	160.076784	137.6
[M+NH4]+	179.117883	153.9
[M+K]+	200.047218	141.7
[M+H-H2O]+	144.081320	124.1
[M+HCOO]-	206.082261	154.8
[M+CH3COO]-	220.097911	188.2
[M+Na-2H]-	182.058726	141.0
[M]+	161.08351142	130.1
[M]-	161.08460858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe