CID 71410563

5-oxaspiro[3.4]octan-1-one

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC2(CCC2=O)OC1

InChI

InChI=1S/C7H10O2/c8-6-2-4-7(6)3-1-5-9-7/h1-5H2

InChIKey

BFRMGOBZLPQKPD-UHFFFAOYSA-N

Compound name

5-oxaspiro[3.4]octan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.06808 Da
Monoisotopic Mass: 0.3
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]+	127.075356	116.1
[M+Na]+	149.057298	122.3
[M-H]-	125.060804	122.5
[M+NH4]+	144.101903	134.4
[M+K]+	165.031238	125.6
[M+H-H2O]+	109.065340	108.1
[M+HCOO]-	171.066281	137.2
[M+CH3COO]-	185.081931	171.1
[M+Na-2H]-	147.042746	123.9
[M]+	126.06753142	122.8
[M]-	126.06862858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.