CID 11725

Methylcyclobutane

Structural Information

Molecular Formula

C₅H₁₀

SMILES

CC1CCC1

InChI

InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3

InChIKey

BDJAEZRIGNCQBZ-UHFFFAOYSA-N

Compound name

methylcyclobutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 19688
Patents: 70.07825 Da
Monoisotopic Mass: 2.8
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]+	71.085526	109.5
[M+Na]+	93.067468	116.9
[M+NH4]+	88.112073	115.8
[M+K]+	109.04141	112.8
[M-H]-	69.070974	109.2
[M+Na-2H]-	91.052916	113.9
[M]+	70.077701	109.3
[M]-	70.078799	109.3

Literature stripe

literature stripe

Patent stripe

patents stripe