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]+ 227.127786 167.1
[M+Na]+ 249.109728 170.8
[M-H]- 225.113234 171.1
[M+NH4]+ 244.154333 175.8
[M+K]+ 265.083668 172.9
[M+H-H2O]+ 209.117770 164.1
[M+HCOO]- 271.118711 173.6
[M+CH3COO]- 285.134361 171.2
[M+Na-2H]- 247.095176 166.7
[M]+ 226.11996142 165.5
[M]- 226.12105858 165.5
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.