CID 12632928

Methyl(2-methylbut-3-yn-2-yl)amine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC(C)(C#C)NC

InChI

InChI=1S/C6H11N/c1-5-6(2,3)7-4/h1,7H,2-4H3

InChIKey

ZMUVNMBTDREBRP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 97.08915 Da
Monoisotopic Mass: 0.5
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]+	98.096426	122.3
[M+Na]+	120.078368	131.4
[M-H]-	96.081874	122.4
[M+NH4]+	115.122973	143.2
[M+K]+	136.052308	130.6
[M+H-H2O]+	80.086410	112.5
[M+HCOO]-	142.087351	140.0
[M+CH3COO]-	156.103001	179.9
[M+Na-2H]-	118.063816	129.2
[M]+	97.08860142	116.5
[M]-	97.08969858	116.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe