CID 53778891

Spiro[3.4]oct-7-en-6-one

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C1CC2(C1)CC(=O)C=C2

InChI

InChI=1S/C8H10O/c9-7-2-5-8(6-7)3-1-4-8/h2,5H,1,3-4,6H2

InChIKey

DTVHNFOGYLVZBS-UHFFFAOYSA-N

Compound name

spiro[3.4]oct-7-en-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 122.073166 Da
Monoisotopic Mass: 1.7
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]+	123.080442	119.0
[M+Na]+	145.062384	126.1
[M-H]-	121.065890	125.2
[M+NH4]+	140.106989	138.9
[M+K]+	161.036324	127.3
[M+H-H2O]+	105.070426	110.7
[M+HCOO]-	167.071367	142.0
[M+CH3COO]-	181.087017	171.8
[M+Na-2H]-	143.047832	126.1
[M]+	122.07261742	125.5
[M]-	122.07371458	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe