CID 12207545

(but-3-yn-1-yl)dimethylamine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CN(C)CCC#C

InChI

InChI=1S/C6H11N/c1-4-5-6-7(2)3/h1H,5-6H2,2-3H3

InChIKey

WSCWSMUKWIYUFV-UHFFFAOYSA-N

Compound name

N,N-dimethylbut-3-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 97.08915 Da
Monoisotopic Mass: 0.8
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	120.4
[M+Na]+	120.07837	131.0
[M+NH4]+	115.12297	125.8
[M+K]+	136.05231	122.4
[M-H]-	96.081874	113.7
[M+Na-2H]-	118.06382	123.0
[M]+	97.088601	119.1
[M]-	97.089699	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe