CID 96875

3-methylene-2-norbornanone

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C=C1C2CCC(C2)C1=O

InChI

InChI=1S/C8H10O/c1-5-6-2-3-7(4-6)8(5)9/h6-7H,1-4H2

InChIKey

FNOOZJAPZFHNCW-UHFFFAOYSA-N

Compound name

3-methylidenebicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 182
Patents: 122.073166 Da
Monoisotopic Mass: 1.5
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]+	123.08044	125.0
[M+Na]+	145.06238	134.5
[M+NH4]+	140.10699	134.8
[M+K]+	161.03632	131.9
[M-H]-	121.06589	125.4
[M+Na-2H]-	143.04783	126.7
[M]+	122.07262	126.1
[M]-	122.07371	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe