CID 14913070

Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₈O₅

SMILES

CCOC(=O)C1(CCC2(CC1)OCCO2)O

InChI

InChI=1S/C11H18O5/c1-2-14-9(12)10(13)3-5-11(6-4-10)15-7-8-16-11/h13H,2-8H2,1H3

InChIKey

WPIGRKQDNYKUGH-UHFFFAOYSA-N

Compound name

ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.11542 Da
Monoisotopic Mass: 0.3
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]+	231.122696	149.8
[M+Na]+	253.104638	154.7
[M-H]-	229.108144	154.6
[M+NH4]+	248.149243	169.9
[M+K]+	269.078578	156.3
[M+H-H2O]+	213.112680	145.8
[M+HCOO]-	275.113621	165.5
[M+CH3COO]-	289.129271	181.8
[M+Na-2H]-	251.090086	155.6
[M]+	230.11487142	148.3
[M]-	230.11596858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe