CID 219357

3-methylenecyclohexene

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C=C1CCCC=C1

InChI

InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5H,1-2,4,6H2

InChIKey

XVKFDCVTYBMNRZ-UHFFFAOYSA-N

Compound name

3-methylidenecyclohexene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 650
Patents: 94.07825 Da
Monoisotopic Mass: 2.3
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]+	95.085526	116.6
[M+Na]+	117.06747	123.1
[M-H]-	93.070974	120.0
[M+NH4]+	112.11207	140.0
[M+K]+	133.04141	121.8
[M+H-H2O]+	77.075510	111.9
[M+HCOO]-	139.07645	139.2
[M+CH3COO]-	153.09210	165.2
[M+Na-2H]-	115.05292	124.2
[M]+	94.077701	112.3
[M]-	94.078799	112.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.