CID 17766919

Dtxsid701343084

Structural Information

Molecular Formula
C14H22O8
SMILES
C=CC(=O)OCC(COCCOCC(COC(=O)C=C)O)O
InChI
InChI=1S/C14H22O8/c1-3-13(17)21-9-11(15)7-19-5-6-20-8-12(16)10-22-14(18)4-2/h3-4,11-12,15-16H,1-2,5-10H2
InChIKey
SDLGHODXUDPAIC-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

318.13147 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13875 172.0
[M+Na]+ 341.12069 174.8
[M-H]- 317.12419 168.1
[M+NH4]+ 336.16529 184.0
[M+K]+ 357.09463 174.7
[M+H-H2O]+ 301.12873 165.6
[M+HCOO]- 363.12967 187.4
[M+CH3COO]- 377.14532 201.1
[M+Na-2H]- 339.10614 169.6
[M]+ 318.13092 178.6
[M]- 318.13202 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe