CID 111389

Einecs 272-511-9

Structural Information

Molecular Formula
C16H26O8
SMILES
CC(=C)C(=O)OCC(COCCOCC(COC(=O)C(=C)C)O)O
InChI
InChI=1S/C16H26O8/c1-11(2)15(19)23-9-13(17)7-21-5-6-22-8-14(18)10-24-16(20)12(3)4/h13-14,17-18H,1,3,5-10H2,2,4H3
InChIKey
YPBNDGVRPOECEP-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1230
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 180.9
[M+Na]+ 369.15200 182.5
[M-H]- 345.15550 187.0
[M+NH4]+ 364.19660 194.1
[M+K]+ 385.12594 183.1
[M+H-H2O]+ 329.16004 174.5
[M+HCOO]- 391.16098 189.0
[M+CH3COO]- 405.17663 208.9
[M+Na-2H]- 367.13745 175.1
[M]+ 346.16223 186.2
[M]- 346.16333 186.2
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