CID 19371017

Spiro[2.5]octan-6-one

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CC2(CCC1=O)CC2

InChI

InChI=1S/C8H12O/c9-7-1-3-8(4-2-7)5-6-8/h1-6H2

InChIKey

PXIGSUWVCSOFMF-UHFFFAOYSA-N

Compound name

spiro[2.5]octan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 318
Patents: 124.08881 Da
Monoisotopic Mass: 1.4
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]+	125.09609	129.2
[M+Na]+	147.07803	142.1
[M+NH4]+	142.12263	141.0
[M+K]+	163.05197	135.1
[M-H]-	123.08153	139.3
[M+Na-2H]-	145.06348	139.3
[M]+	124.08826	135.1
[M]-	124.08936	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe