CID 10845708

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

COC(=O)C1CCC2(CC1)OCCO2

InChI

InChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3

InChIKey

XUTIURCKMWHHLX-UHFFFAOYSA-N

Compound name

methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 200.10486 Da
Monoisotopic Mass: 0.7
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]+	201.112136	143.0
[M+Na]+	223.094078	147.8
[M-H]-	199.097584	149.0
[M+NH4]+	218.138683	163.1
[M+K]+	239.068018	149.8
[M+H-H2O]+	183.102120	138.2
[M+HCOO]-	245.103061	160.3
[M+CH3COO]-	259.118711	179.4
[M+Na-2H]-	221.079526	148.2
[M]+	200.10431142	140.9
[M]-	200.10540858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe