CID 142749

Ethynylcyclobutane

Structural Information

Molecular Formula

C₆H₈

SMILES

C#CC1CCC1

InChI

InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2

InChIKey

GAXSIWLVORHPTJ-UHFFFAOYSA-N

Compound name

ethynylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 518
Patents: 80.0626 Da
Monoisotopic Mass: 2.0
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]+	81.069876	106.9
[M+Na]+	103.05182	115.4
[M-H]-	79.055324	109.8
[M+NH4]+	98.096423	122.9
[M+K]+	119.02576	117.4
[M+H-H2O]+	63.059860	93.0
[M+HCOO]-	125.06080	124.2
[M+CH3COO]-	139.07645	177.2
[M+Na-2H]-	101.03727	114.2
[M]+	80.062051	108.0
[M]-	80.063149	108.0

Literature stripe

literature stripe

Patent stripe

patents stripe