CID 5365543

Ethylidenenorbornene

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C/C=C/1\CC2CC1C=C2

InChI

InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+

InChIKey

OJOWICOBYCXEKR-KRXBUXKQSA-N

Compound name

(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 78990
Patents: 120.0939 Da
Monoisotopic Mass: 2.2
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]+	121.10118	126.8
[M+Na]+	143.08312	135.2
[M-H]-	119.08662	130.0
[M+NH4]+	138.12772	154.7
[M+K]+	159.05706	132.7
[M+H-H2O]+	103.09116	123.0
[M+HCOO]-	165.09210	149.8
[M+CH3COO]-	179.10775	171.0
[M+Na-2H]-	141.06857	131.5
[M]+	120.09335	125.6
[M]-	120.09445	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe