CID 12568263

24730-89-0

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC1(CCC2(CC1)OCCO2)CO

InChI

InChI=1S/C10H18O3/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h11H,2-8H2,1H3

InChIKey

ZDECMKJUNXSDQO-UHFFFAOYSA-N

Compound name

(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 186.1256 Da
Monoisotopic Mass: 0.9
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]+	187.132876	140.3
[M+Na]+	209.114818	145.7
[M-H]-	185.118324	145.2
[M+NH4]+	204.159423	162.4
[M+K]+	225.088758	146.6
[M+H-H2O]+	169.122860	136.2
[M+HCOO]-	231.123801	156.7
[M+CH3COO]-	245.139451	175.1
[M+Na-2H]-	207.100266	147.4
[M]+	186.12505142	136.8
[M]-	186.12614858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe