CID 58281036

943026-55-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

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

InChIKey

VUVHYJKFIRKPJR-UHFFFAOYSA-N

Compound name

(4-prop-2-ynoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.08406 Da
Monoisotopic Mass: 0.9
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]+	162.09134	135.9
[M+Na]+	184.07328	147.8
[M+NH4]+	179.11788	140.9
[M+K]+	200.04722	138.1
[M-H]-	160.07678	130.5
[M+Na-2H]-	182.05873	139.8
[M]+	161.08351	135.2
[M]-	161.08461	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe