CID 93694

57516-73-1

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

C=C1COC2(OCCCO2)OC1

InChI

InChI=1S/C8H12O4/c1-7-5-11-8(12-6-7)9-3-2-4-10-8/h1-6H2

InChIKey

OGWFRFMHFVZWTI-UHFFFAOYSA-N

Compound name

3-methylidene-1,5,7,11-tetraoxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.07356 Da
Monoisotopic Mass: -0.2
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]+	173.08084	136.0
[M+Na]+	195.06278	147.3
[M+NH4]+	190.10738	145.6
[M+K]+	211.03672	141.5
[M-H]-	171.06628	143.5
[M+Na-2H]-	193.04823	140.7
[M]+	172.07301	139.8
[M]-	172.07411	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe