CID 138732

3-dibutylamino-1-propyne

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CCCCN(CCCC)CC#C

InChI

InChI=1S/C11H21N/c1-4-7-10-12(9-6-3)11-8-5-2/h3H,4-5,7-11H2,1-2H3

InChIKey

XTEBRELWTGWYDE-UHFFFAOYSA-N

Compound name

N-butyl-N-prop-2-ynylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
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	140.5
[M+Na]+	190.15662	150.2
[M+NH4]+	185.20122	145.2
[M+K]+	206.13056	140.5
[M-H]-	166.16012	133.6
[M+Na-2H]-	188.14207	141.8
[M]+	167.16685	139.0
[M]-	167.16795	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe