CID 252322

Ethylcyclobutane

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CCC1CCC1

InChI

InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3

InChIKey

NEZRFXZYPAIZAD-UHFFFAOYSA-N

Compound name

ethylcyclobutane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 16584
Patents: 84.0939 Da
Monoisotopic Mass: 3.0
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]+	85.101176	113.1
[M+Na]+	107.08312	119.0
[M-H]-	83.086624	116.7
[M+NH4]+	102.12772	130.7
[M+K]+	123.05706	121.8
[M+H-H2O]+	67.091160	104.1
[M+HCOO]-	129.09210	135.4
[M+CH3COO]-	143.10775	169.2
[M+Na-2H]-	105.06857	120.4
[M]+	84.093351	120.2
[M]-	84.094449	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe