CID 20845

2-methyl-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC1COC2(O1)CCCCC2

InChI

InChI=1S/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3

InChIKey

LKGNKCNAPNUZCM-UHFFFAOYSA-N

Compound name

3-methyl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 107
Patents: 156.11504 Da
Monoisotopic Mass: 1.9
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	133.0
[M+Na]+	179.10426	138.3
[M-H]-	155.10776	139.1
[M+NH4]+	174.14886	155.1
[M+K]+	195.07820	139.7
[M+H-H2O]+	139.11230	128.3
[M+HCOO]-	201.11324	151.1
[M+CH3COO]-	215.12889	172.7
[M+Na-2H]-	177.08971	139.7
[M]+	156.11449	129.0
[M]-	156.11559	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe