CID 11344014

Spiro[3.4]octan-2-one

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CCC2(C1)CC(=O)C2

InChI

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

InChIKey

FGUMOUPJTIVALZ-UHFFFAOYSA-N

Compound name

spiro[3.4]octan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 124.08881 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]+	125.09609	125.5
[M+Na]+	147.07803	131.1
[M+NH4]+	142.12263	132.7
[M+K]+	163.05197	127.0
[M-H]-	123.08153	125.1
[M+Na-2H]-	145.06348	129.6
[M]+	124.08826	125.0
[M]-	124.08936	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe