CID 196589

3,9-diethylidene-2,4,8,10-tetraoxaspiro[5.5]undecane

Structural Information

Molecular Formula
C11H16O4
SMILES
CC=C1OCC2(CO1)COC(=CC)OC2
InChI
InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4H,5-8H2,1-2H3
InChIKey
ZNCFMBOWBMPEAC-UHFFFAOYSA-N
Compound name
3,9-di(ethylidene)-2,4,8,10-tetraoxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1424
Patents

212.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.4
[M+Na]+ 235.09408 152.7
[M-H]- 211.09758 154.7
[M+NH4]+ 230.13868 162.8
[M+K]+ 251.06802 155.6
[M+H-H2O]+ 195.10212 141.8
[M+HCOO]- 257.10306 161.5
[M+CH3COO]- 271.11871 182.9
[M+Na-2H]- 233.07953 155.5
[M]+ 212.10431 145.1
[M]- 212.10541 145.1
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