CID 103631

52408-42-1

Structural Information

Molecular Formula
C16H26O8
SMILES
C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O
InChI
InChI=1S/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2
InChIKey
QIPOUSKNIMYTRA-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

333
Patents

346.16278 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17006 181.3
[M+Na]+ 369.15200 184.7
[M+NH4]+ 364.19660 195.5
[M+K]+ 385.12594 192.0
[M-H]- 345.15550 188.6
[M+Na-2H]- 367.13745 177.2
[M]+ 346.16223 178.8
[M]- 346.16333 178.8
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

patents stripe