CID 130816043

1860511-56-3

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

C#CCN1CC2CC2C1

InChI

InChI=1S/C8H11N/c1-2-3-9-5-7-4-8(7)6-9/h1,7-8H,3-6H2

InChIKey

HRUOHVGPRWBSAB-UHFFFAOYSA-N

Compound name

3-prop-2-ynyl-3-azabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 121.08915 Da
Monoisotopic Mass: 0.8
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]+	122.09643	123.6
[M+Na]+	144.07837	140.0
[M-H]-	120.08187	127.8
[M+NH4]+	139.12297	142.3
[M+K]+	160.05231	132.2
[M+H-H2O]+	104.08641	114.3
[M+HCOO]-	166.08735	141.3
[M+CH3COO]-	180.10300	137.6
[M+Na-2H]-	142.06382	130.3
[M]+	121.08860	121.5
[M]-	121.08970	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.