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 167.1
[M+Na]+ 249.10973 170.8
[M-H]- 225.11323 171.1
[M+NH4]+ 244.15433 175.8
[M+K]+ 265.08367 172.9
[M+H-H2O]+ 209.11777 164.1
[M+HCOO]- 271.11871 173.6
[M+CH3COO]- 285.13436 171.2
[M+Na-2H]- 247.09518 166.7
[M]+ 226.11996 165.5
[M]- 226.12106 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.