CID 20515251

3-ethynyl-n,n-dimethylaniline

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

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

InChI

InChI=1S/C10H11N/c1-4-9-6-5-7-10(8-9)11(2)3/h1,5-8H,2-3H3

InChIKey

BLWILLBYFSRYOM-UHFFFAOYSA-N

Compound name

3-ethynyl-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 145.08914 Da
Monoisotopic Mass: 2.7
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]+	146.09642	132.0
[M+Na]+	168.07836	141.9
[M-H]-	144.08186	135.5
[M+NH4]+	163.12296	151.6
[M+K]+	184.05230	139.0
[M+H-H2O]+	128.08640	120.2
[M+HCOO]-	190.08734	151.8
[M+CH3COO]-	204.10299	190.3
[M+Na-2H]-	166.06381	137.5
[M]+	145.08859	127.0
[M]-	145.08969	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe