CID 209599

Benzamide, n-(2-propynyloxy)-

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C#CCONC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H9NO2/c1-2-8-13-11-10(12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12)

InChIKey

AQYNGRBVFDEDBJ-UHFFFAOYSA-N

Compound name

N-prop-2-ynoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 175.06332 Da
Monoisotopic Mass: 0.2
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]+	176.070596	139.5
[M+Na]+	198.052538	148.4
[M-H]-	174.056044	141.4
[M+NH4]+	193.097143	156.9
[M+K]+	214.026478	145.0
[M+H-H2O]+	158.060580	127.3
[M+HCOO]-	220.061521	158.5
[M+CH3COO]-	234.077171	189.0
[M+Na-2H]-	196.037986	144.9
[M]+	175.06277142	134.3
[M]-	175.06386858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe