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: 30
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	123.7
[M+Na]+	132.07837	133.0
[M+NH4]+	127.12297	130.5
[M+K]+	148.05231	124.3
[M-H]-	108.08187	117.6
[M+Na-2H]-	130.06382	127.1
[M]+	109.08860	122.4
[M]-	109.08970	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe