CID 201988

7223-45-2

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CCC(C)(C#C)N(CC)CC

InChI

InChI=1S/C10H19N/c1-6-10(5,7-2)11(8-3)9-4/h1H,7-9H2,2-5H3

InChIKey

LDLYHSUWITTZQC-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-methylpent-1-yn-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.15175 Da
Monoisotopic Mass: 2.2
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]+	154.15903	137.5
[M+Na]+	176.14097	145.3
[M-H]-	152.14447	138.3
[M+NH4]+	171.18557	157.0
[M+K]+	192.11491	144.7
[M+H-H2O]+	136.14901	126.8
[M+HCOO]-	198.14995	154.6
[M+CH3COO]-	212.16560	194.0
[M+Na-2H]-	174.12642	141.9
[M]+	153.15120	134.2
[M]-	153.15230	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe