CID 130651472

1-ethynylcycloheptan-1-aminehydrochloride

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C#CC1(CCCCCC1)N

InChI

InChI=1S/C9H15N/c1-2-9(10)7-5-3-4-6-8-9/h1H,3-8,10H2

InChIKey

DJSBRDCUNWJOSG-UHFFFAOYSA-N

Compound name

1-ethynylcycloheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 137.12045 Da
Monoisotopic Mass: 1.5
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]+	138.12773	128.6
[M+Na]+	160.10967	134.4
[M-H]-	136.11317	131.0
[M+NH4]+	155.15427	147.6
[M+K]+	176.08361	133.8
[M+H-H2O]+	120.11771	118.5
[M+HCOO]-	182.11865	143.3
[M+CH3COO]-	196.13430	185.3
[M+Na-2H]-	158.09512	133.1
[M]+	137.11990	115.3
[M]-	137.12100	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.