CID 107317

4650-83-3

Structural Information

Molecular Formula

C₁₅H₂₆O₅

SMILES

C1CC(OC1)COC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C15H26O5/c16-14(17)9-5-3-1-2-4-6-10-15(18)20-12-13-8-7-11-19-13/h13H,1-12H2,(H,16,17)

InChIKey

XRVATIVUESFWDO-UHFFFAOYSA-N

Compound name

10-oxo-10-(oxolan-2-ylmethoxy)decanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 286.178 Da
Monoisotopic Mass: 2.8
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]+	287.185276	172.0
[M+Na]+	309.167218	174.1
[M-H]-	285.170724	172.9
[M+NH4]+	304.211823	186.8
[M+K]+	325.141158	173.6
[M+H-H2O]+	269.175260	165.5
[M+HCOO]-	331.176201	189.4
[M+CH3COO]-	345.191851	197.0
[M+Na-2H]-	307.152666	171.0
[M]+	286.17745142	175.1
[M]-	286.17854858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe