CID 189910

Butynamine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

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

InChI

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

InChIKey

PAVORIOUUILGMQ-UHFFFAOYSA-N

Compound name

N-tert-butyl-N,2-dimethylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
Patents: 153.15175 Da
Monoisotopic Mass: 2.0
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]+	154.159026	139.8
[M+Na]+	176.140968	147.9
[M-H]-	152.144474	141.0
[M+NH4]+	171.185573	159.4
[M+K]+	192.114908	147.8
[M+H-H2O]+	136.149010	129.7
[M+HCOO]-	198.149951	155.4
[M+CH3COO]-	212.165601	193.8
[M+Na-2H]-	174.126416	144.6
[M]+	153.15120142	135.9
[M]-	153.15229858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe