CID 11725

Cyclobutane, methyl-

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

4
Annotation Hits: 13
References: 37250
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	108.3
[M+Na]+	93.067468	114.6
[M-H]-	69.070974	112.2
[M+NH4]+	88.112073	126.5
[M+K]+	109.041408	117.7
[M+H-H2O]+	53.075510	99.5
[M+HCOO]-	115.076451	130.9
[M+CH3COO]-	129.092101	166.3
[M+Na-2H]-	91.052916	116.3
[M]+	70.07770142	115.1
[M]-	70.07879858	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe