CID 14919833

4,4-dimethylpent-1-yn-3-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

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

InChI

InChI=1S/C7H13N/c1-5-6(8)7(2,3)4/h1,6H,8H2,2-4H3

InChIKey

PMWAAXIXEBSFCD-UHFFFAOYSA-N

Compound name

4,4-dimethylpent-1-yn-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 111.1048 Da
Monoisotopic Mass: 1.2
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]+	112.112076	128.4
[M+Na]+	134.094018	137.0
[M-H]-	110.097524	128.0
[M+NH4]+	129.138623	148.6
[M+K]+	150.067958	136.0
[M+H-H2O]+	94.102060	118.5
[M+HCOO]-	156.103001	144.4
[M+CH3COO]-	170.118651	182.1
[M+Na-2H]-	132.079466	132.6
[M]+	111.10425142	121.3
[M]-	111.10534858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe