CID 13813829

15189-18-1

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC1CC(=C)C1

InChI

InChI=1S/C6H10/c1-5-3-6(2)4-5/h6H,1,3-4H2,2H3

InChIKey

BXYZBFOEWUJGTP-UHFFFAOYSA-N

Compound name

1-methyl-3-methylidenecyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 82.07825 Da
Monoisotopic Mass: 1.8
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]+	83.085526	111.4
[M+Na]+	105.06747	118.6
[M-H]-	81.070974	115.5
[M+NH4]+	100.11207	129.4
[M+K]+	121.04141	120.7
[M+H-H2O]+	65.075510	102.8
[M+HCOO]-	127.07645	133.9
[M+CH3COO]-	141.09210	169.3
[M+Na-2H]-	103.05292	118.2
[M]+	82.077701	118.3
[M]-	82.078799	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe