CID 18762022

2166164-92-5

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C#CCCCCCCN

InChI

InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h1H,3-9H2

InChIKey

REQFTYFGWVLWOQ-UHFFFAOYSA-N

Compound name

oct-7-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 125.12045 Da
Monoisotopic Mass: 1.7
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]+	126.12773	127.5
[M+Na]+	148.10967	135.6
[M-H]-	124.11317	126.6
[M+NH4]+	143.15427	147.1
[M+K]+	164.08361	133.5
[M+H-H2O]+	108.11771	116.8
[M+HCOO]-	170.11865	145.6
[M+CH3COO]-	184.13430	184.5
[M+Na-2H]-	146.09512	132.4
[M]+	125.11990	122.0
[M]-	125.12100	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe