CID 135986

183-97-1

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

C1CC2(CCC13OCCO3)OCCO2

InChI

InChI=1S/C10H16O4/c1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h1-8H2

InChIKey

YSMVSEYPOBXSOK-UHFFFAOYSA-N

Compound name

1,4,9,12-tetraoxadispiro[4.2.48.25]tetradecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 200.10486 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]+	201.112136	140.9
[M+Na]+	223.094078	145.8
[M-H]-	199.097584	149.9
[M+NH4]+	218.138683	161.7
[M+K]+	239.068018	149.4
[M+H-H2O]+	183.102120	137.7
[M+HCOO]-	245.103061	156.2
[M+CH3COO]-	259.118711	153.8
[M+Na-2H]-	221.079526	148.3
[M]+	200.10431142	137.7
[M]-	200.10540858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe