CID 87311570

Schembl1921083

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

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

InChI

InChI=1S/C11H11NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3

InChIKey

VQOBAVGJYNWTOM-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylprop-2-ynamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.08406 Da
Monoisotopic Mass: 1.7
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]+	174.09134	140.2
[M+Na]+	196.07328	151.8
[M+NH4]+	191.11788	145.1
[M+K]+	212.04722	142.6
[M-H]-	172.07678	134.8
[M+Na-2H]-	194.05873	144.2
[M]+	173.08351	139.5
[M]-	173.08461	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe