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
3
Annotation Hits

2
References

3752
Patents

160.07356 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 130.9
[M+Na]+ 183.062778 135.2
[M-H]- 159.066284 138.0
[M+NH4]+ 178.107383 147.7
[M+K]+ 199.036718 140.3
[M+H-H2O]+ 143.070820 125.4
[M+HCOO]- 205.071761 145.9
[M+CH3COO]- 219.087411 143.8
[M+Na-2H]- 181.048226 142.4
[M]+ 160.07301142 128.0
[M]- 160.07410858 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe