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: 4024
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	130.9
[M+Na]+	183.06278	135.2
[M-H]-	159.06628	138.0
[M+NH4]+	178.10738	147.7
[M+K]+	199.03672	140.3
[M+H-H2O]+	143.07082	125.4
[M+HCOO]-	205.07176	145.9
[M+CH3COO]-	219.08741	143.8
[M+Na-2H]-	181.04823	142.4
[M]+	160.07301	128.0
[M]-	160.07411	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe