CID 145875902

2137597-71-6

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C1CC2(CCOCC2)COC1CO

InChI

InChI=1S/C10H18O3/c11-7-9-1-2-10(8-13-9)3-5-12-6-4-10/h9,11H,1-8H2

InChIKey

RSHSFCIEYVZSDC-UHFFFAOYSA-N

Compound name

2,9-dioxaspiro[5.5]undecan-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 0.4
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	141.2
[M+Na]+	209.11482	144.7
[M-H]-	185.11832	145.5
[M+NH4]+	204.15942	159.4
[M+K]+	225.08876	145.7
[M+H-H2O]+	169.12286	135.5
[M+HCOO]-	231.12380	155.5
[M+CH3COO]-	245.13945	175.7
[M+Na-2H]-	207.10027	148.4
[M]+	186.12505	135.1
[M]-	186.12615	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.