CID 2737102

2-oxaspiro[4.4]nonane-1,3-dione

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1CCC2(C1)CC(=O)OC2=O

InChI

InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2

InChIKey

HOKKSYPZFBKQAZ-UHFFFAOYSA-N

Compound name

2-oxaspiro[4.4]nonane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 277
Patents: 154.06299 Da
Monoisotopic Mass: 1.0
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]+	155.070266	129.8
[M+Na]+	177.052208	137.7
[M-H]-	153.055714	136.2
[M+NH4]+	172.096813	155.1
[M+K]+	193.026148	137.6
[M+H-H2O]+	137.060250	126.2
[M+HCOO]-	199.061191	151.9
[M+CH3COO]-	213.076841	171.1
[M+Na-2H]-	175.037656	134.4
[M]+	154.06244142	127.5
[M]-	154.06353858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe