CID 45280

Brn 0110041

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC1CCCCC12OCC(O2)OC

InChI

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

InChIKey

JBBSPBZLGWFOBM-UHFFFAOYSA-N

Compound name

3-methoxy-6-methyl-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 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]+	187.132876	140.0
[M+Na]+	209.114818	145.7
[M-H]-	185.118324	146.3
[M+NH4]+	204.159423	161.1
[M+K]+	225.088758	147.3
[M+H-H2O]+	169.122860	135.3
[M+HCOO]-	231.123801	157.9
[M+CH3COO]-	245.139451	179.0
[M+Na-2H]-	207.100266	145.7
[M]+	186.12505142	138.2
[M]-	186.12614858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.