CID 12632920

1-ethynylcyclopentan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C#CC1(CCCC1)N

InChI

InChI=1S/C7H11N/c1-2-7(8)5-3-4-6-7/h1H,3-6,8H2

InChIKey

KCTXFYBEKPTOEW-UHFFFAOYSA-N

Compound name

1-ethynylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 109.08915 Da
Monoisotopic Mass: 0.5
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]+	110.09643	125.3
[M+Na]+	132.07837	134.8
[M-H]-	108.08187	127.2
[M+NH4]+	127.12297	148.4
[M+K]+	148.05231	130.7
[M+H-H2O]+	92.086410	114.9
[M+HCOO]-	154.08735	143.1
[M+CH3COO]-	168.10300	177.7
[M+Na-2H]-	130.06382	129.9
[M]+	109.08860	115.5
[M]-	109.08970	115.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe