CID 136324

2-methylene-bicyclo(2.2.1)heptane

Structural Information

Molecular Formula

C₈H₁₂

SMILES

C=C1CC2CCC1C2

InChI

InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h7-8H,1-5H2

InChIKey

AJQVASAUQUTVJK-UHFFFAOYSA-N

Compound name

2-methylidenebicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 407
Patents: 108.0939 Da
Monoisotopic Mass: 2.4
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]+	109.101176	124.1
[M+Na]+	131.083118	131.7
[M-H]-	107.086624	126.9
[M+NH4]+	126.127723	152.2
[M+K]+	147.057058	129.7
[M+H-H2O]+	91.091160	120.3
[M+HCOO]-	153.092101	145.9
[M+CH3COO]-	167.107751	169.0
[M+Na-2H]-	129.068566	128.2
[M]+	108.09335142	121.1
[M]-	108.09444858	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe