CID 34718

Brn 0106032

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C1CCC2(C1)CCC(CO2)O

InChI

InChI=1S/C9H16O2/c10-8-3-6-9(11-7-8)4-1-2-5-9/h8,10H,1-7H2

InChIKey

UGOZCCCOINCWMR-UHFFFAOYSA-N

Compound name

6-oxaspiro[4.5]decan-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.11504 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]+	157.12232	134.3
[M+Na]+	179.10426	139.1
[M-H]-	155.10776	138.4
[M+NH4]+	174.14886	157.0
[M+K]+	195.07820	138.6
[M+H-H2O]+	139.11230	129.6
[M+HCOO]-	201.11324	151.9
[M+CH3COO]-	215.12889	170.0
[M+Na-2H]-	177.08971	139.7
[M]+	156.11449	127.8
[M]-	156.11559	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe