CID 13658161

N-benzyl-n-(prop-2-yn-1-yl)formamide

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C#CCN(CC1=CC=CC=C1)C=O

InChI

InChI=1S/C11H11NO/c1-2-8-12(10-13)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2

InChIKey

MOSRXMRJDACECK-UHFFFAOYSA-N

Compound name

N-benzyl-N-prop-2-ynylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.08406 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]+	174.091336	139.3
[M+Na]+	196.073278	148.2
[M-H]-	172.076784	142.2
[M+NH4]+	191.117883	157.4
[M+K]+	212.047218	144.8
[M+H-H2O]+	156.081320	126.8
[M+HCOO]-	218.082261	159.1
[M+CH3COO]-	232.097911	192.9
[M+Na-2H]-	194.058726	144.7
[M]+	173.08351142	134.9
[M]-	173.08460858	134.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.