CID 28607747

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

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C#CCOC1=CC=CC=C1CN

InChI

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

InChIKey

ZZJKDLUFTVPJGN-UHFFFAOYSA-N

Compound name

(2-prop-2-ynoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	135.8
[M+Na]+	184.07328	145.6
[M-H]-	160.07678	137.6
[M+NH4]+	179.11788	153.9
[M+K]+	200.04722	141.7
[M+H-H2O]+	144.08132	124.1
[M+HCOO]-	206.08226	154.8
[M+CH3COO]-	220.09791	188.2
[M+Na-2H]-	182.05873	141.0
[M]+	161.08351	130.1
[M]-	161.08461	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe