CID 96875

3-methylenenorbornan-2-one

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: 194
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	125.2
[M+Na]+	145.06238	134.0
[M-H]-	121.06589	128.5
[M+NH4]+	140.10699	152.9
[M+K]+	161.03632	131.8
[M+H-H2O]+	105.07043	121.8
[M+HCOO]-	167.07137	147.4
[M+CH3COO]-	181.08702	171.1
[M+Na-2H]-	143.04783	128.9
[M]+	122.07262	123.4
[M]-	122.07371	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe