CID 4724212

(prop-2-yn-1-yl)(propyl)amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CCCNCC#C

InChI

InChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3

InChIKey

MDMPAKJUMKBYNQ-UHFFFAOYSA-N

Compound name

N-prop-2-ynylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
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	120.8
[M+Na]+	120.07837	131.2
[M+NH4]+	115.12297	126.0
[M+K]+	136.05231	122.1
[M-H]-	96.081874	113.8
[M+Na-2H]-	118.06382	123.1
[M]+	97.088601	119.3
[M]-	97.089699	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe