CID 87311570

N-benzyl-n-methylprop-2-ynamide

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	140.8
[M+Na]+	196.07328	149.6
[M-H]-	172.07678	143.9
[M+NH4]+	191.11788	158.9
[M+K]+	212.04722	146.6
[M+H-H2O]+	156.08132	128.5
[M+HCOO]-	218.08226	159.7
[M+CH3COO]-	232.09791	193.1
[M+Na-2H]-	194.05873	145.1
[M]+	173.08351	135.8
[M]-	173.08461	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe