CID 557153

Spiro[4.5]decan-2-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1CCC2(CC1)CCC(=O)C2

InChI

InChI=1S/C10H16O/c11-9-4-7-10(8-9)5-2-1-3-6-10/h1-8H2

InChIKey

DJHRXBYWKVQDJY-UHFFFAOYSA-N

Compound name

spiro[4.5]decan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 152.12012 Da
Monoisotopic Mass: 2.6
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]+	153.127396	135.3
[M+Na]+	175.109338	140.3
[M-H]-	151.112844	140.1
[M+NH4]+	170.153943	160.1
[M+K]+	191.083278	138.4
[M+H-H2O]+	135.117380	130.1
[M+HCOO]-	197.118321	154.9
[M+CH3COO]-	211.133971	172.8
[M+Na-2H]-	173.094786	139.4
[M]+	152.11957142	128.2
[M]-	152.12066858	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe