CID 11185355

2-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h1,3-6H,7-9,12H2

InChIKey

FLTIEIVNYBTONH-UHFFFAOYSA-N

Compound name

2-(4-prop-2-ynoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.09972 Da
Monoisotopic Mass: 1.3
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]+	176.106996	139.8
[M+Na]+	198.088938	149.2
[M-H]-	174.092444	141.4
[M+NH4]+	193.133543	157.4
[M+K]+	214.062878	145.0
[M+H-H2O]+	158.096980	127.9
[M+HCOO]-	220.097921	158.5
[M+CH3COO]-	234.113571	190.9
[M+Na-2H]-	196.074386	144.4
[M]+	175.09917142	134.4
[M]-	175.10026858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe