CID 22923

6413-28-1

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC1CCC2(CC1)OCC(CO2)O

InChI

InChI=1S/C10H18O3/c1-8-2-4-10(5-3-8)12-6-9(11)7-13-10/h8-9,11H,2-7H2,1H3

InChIKey

ODSNPLWXKRGSIA-UHFFFAOYSA-N

Compound name

9-methyl-1,5-dioxaspiro[5.5]undecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.1256 Da
Monoisotopic Mass: 1.1
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]+	187.13288	140.9
[M+Na]+	209.11482	145.3
[M-H]-	185.11832	145.7
[M+NH4]+	204.15942	159.5
[M+K]+	225.08876	146.4
[M+H-H2O]+	169.12286	135.5
[M+HCOO]-	231.12380	155.2
[M+CH3COO]-	245.13945	176.9
[M+Na-2H]-	207.10027	147.5
[M]+	186.12505	135.3
[M]-	186.12615	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe