CID 88375

6-oxaspiro[4.5]decan-7-one

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCC2(C1)CCCC(=O)O2

InChI

InChI=1S/C9H14O2/c10-8-4-3-7-9(11-8)5-1-2-6-9/h1-7H2

InChIKey

CRCMTYCCDWGMDD-UHFFFAOYSA-N

Compound name

6-oxaspiro[4.5]decan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.09938 Da
Monoisotopic Mass: 1.6
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]+	155.106656	132.5
[M+Na]+	177.088598	138.0
[M-H]-	153.092104	138.0
[M+NH4]+	172.133203	155.8
[M+K]+	193.062538	137.8
[M+H-H2O]+	137.096640	127.6
[M+HCOO]-	199.097581	151.7
[M+CH3COO]-	213.113231	171.7
[M+Na-2H]-	175.074046	138.3
[M]+	154.09883142	127.1
[M]-	154.09992858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe