CID 77909

Diethyl(1-propynyl)amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CCN(CC)C#CC

InChI

InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h5-6H2,1-3H3

InChIKey

RJSCZBRDRBIRHP-UHFFFAOYSA-N

Compound name

N,N-diethylprop-1-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 724
Patents: 111.1048 Da
Monoisotopic Mass: 2.1
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]+	112.11208	122.9
[M+Na]+	134.09402	131.6
[M-H]-	110.09752	123.9
[M+NH4]+	129.13862	143.9
[M+K]+	150.06796	131.2
[M+H-H2O]+	94.102060	112.2
[M+HCOO]-	156.10300	142.3
[M+CH3COO]-	170.11865	185.0
[M+Na-2H]-	132.07947	128.5
[M]+	111.10425	119.0
[M]-	111.10535	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe