CID 12705588

2-methyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CCCC2(O1)CCCCO2

InChI

InChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3

InChIKey

SXANEOXSBPWLFG-UHFFFAOYSA-N

Compound name

2-methyl-1,7-dioxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 170.13068 Da
Monoisotopic Mass: 2.0
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]+	171.13796	137.5
[M+Na]+	193.11990	141.4
[M-H]-	169.12340	143.3
[M+NH4]+	188.16450	157.1
[M+K]+	209.09384	142.9
[M+H-H2O]+	153.12794	131.7
[M+HCOO]-	215.12888	153.1
[M+CH3COO]-	229.14453	176.2
[M+Na-2H]-	191.10535	145.1
[M]+	170.13013	131.7
[M]-	170.13123	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe