CID 12668862

26557-78-8

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H9NO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7,10H2

InChIKey

FPLSLCJCSKFAMA-UHFFFAOYSA-N

Compound name

4-prop-2-ynoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 363
Patents: 147.06842 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]+	148.07570	131.8
[M+Na]+	170.05764	143.9
[M+NH4]+	165.10224	137.0
[M+K]+	186.03158	134.4
[M-H]-	146.06114	126.5
[M+Na-2H]-	168.04309	136.0
[M]+	147.06787	131.1
[M]-	147.06897	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe