CID 17766919

Refchem:479015

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

36
Patents

318.13147 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.138746 172.0
[M+Na]+ 341.120688 174.8
[M-H]- 317.124194 168.1
[M+NH4]+ 336.165293 184.0
[M+K]+ 357.094628 174.7
[M+H-H2O]+ 301.128730 165.6
[M+HCOO]- 363.129671 187.4
[M+CH3COO]- 377.145321 201.1
[M+Na-2H]- 339.106136 169.6
[M]+ 318.13092142 178.6
[M]- 318.13201858 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