CID 14952373

Hept-6-yn-1-amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C#CCCCCCN

InChI

InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h1H,3-8H2

InChIKey

CTJWRSXGDBETPH-UHFFFAOYSA-N

Compound name

hept-6-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.11208	125.0
[M+Na]+	134.09402	134.9
[M+NH4]+	129.13862	129.9
[M+K]+	150.06796	125.8
[M-H]-	110.09752	117.7
[M+Na-2H]-	132.07947	126.6
[M]+	111.10425	123.4
[M]-	111.10535	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe