CID 78951

2,4,8,10-tetraoxaspiro[5.5]undecane

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

C1C2(COCO1)COCOC2

InChI

InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2

InChIKey

BGCSUUSPRCDKBQ-UHFFFAOYSA-N

Compound name

2,4,8,10-tetraoxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4357
Patents: 160.07356 Da
Monoisotopic Mass: -0.5
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]+	161.08084	133.1
[M+Na]+	183.06278	144.2
[M+NH4]+	178.10738	143.2
[M+K]+	199.03672	138.5
[M-H]-	159.06628	140.9
[M+Na-2H]-	181.04823	138.4
[M]+	160.07301	137.0
[M]-	160.07411	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe