CID 145874265

1877095-81-2

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CCN(CCC#C)CC(C)(C)C

InChI

InChI=1S/C11H21N/c1-6-8-9-12(7-2)10-11(3,4)5/h1H,7-10H2,2-5H3

InChIKey

LOCDFPWAGCZHJS-UHFFFAOYSA-N

Compound name

N-but-3-ynyl-N-ethyl-2,2-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 2.9
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]+	168.17468	140.9
[M+Na]+	190.15662	150.3
[M+NH4]+	185.20122	145.4
[M+K]+	206.13056	141.7
[M-H]-	166.16012	133.4
[M+Na-2H]-	188.14207	142.1
[M]+	167.16685	139.2
[M]-	167.16795	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.