CID 90517

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

Structural Information

Molecular Formula
C7H12O4
SMILES
C1COC2(OC1)OCCCO2
InChI
InChI=1S/C7H12O4/c1-3-8-7(9-4-1)10-5-2-6-11-7/h1-6H2
InChIKey
PCEBNPHEKQSKKT-UHFFFAOYSA-N
Compound name
1,5,7,11-tetraoxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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