CID 64502555

(hept-6-yn-1-yl)(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CNCCCCCC#C

InChI

InChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h1,9H,4-8H2,2H3

InChIKey

LKUXRFZZQBLOEM-UHFFFAOYSA-N

Compound name

N-methylhept-6-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 125.12045 Da
Monoisotopic Mass: 1.6
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	126.7
[M+Na]+	148.10967	134.8
[M-H]-	124.11317	126.2
[M+NH4]+	143.15427	146.6
[M+K]+	164.08361	133.0
[M+H-H2O]+	108.11771	116.0
[M+HCOO]-	170.11865	145.4
[M+CH3COO]-	184.13430	185.1
[M+Na-2H]-	146.09512	132.6
[M]+	125.11990	122.2
[M]-	125.12100	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.