CID 5382385

Mls002920472

Structural Information

Molecular Formula
C12H18O4
SMILES
C/1CC2(C3(CC/C=C1)OCCO3)OCCO2
InChI
InChI=1S/C12H18O4/c1-2-4-6-12(15-9-10-16-12)11(5-3-1)13-7-8-14-11/h1-2H,3-10H2/b2-1-
InChIKey
GYDPEDDJLLAVIV-UPHRSURJSA-N
Compound name
(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

226.12051 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 170.9
[M+Na]+ 249.10973 173.5
[M+NH4]+ 244.15433 174.1
[M+K]+ 265.08367 172.1
[M-H]- 225.11323 173.1
[M+Na-2H]- 247.09518 172.0
[M]+ 226.11996 171.9
[M]- 226.12106 171.9
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

No patent data available for this compound.