CID 111281

7237-83-4

Structural Information

Molecular Formula
C18H18O9
SMILES
C1C(O1)COC(=O)C2=CC(=C(C=C2)C(=O)OCC3CO3)C(=O)OCC4CO4
InChI
InChI=1S/C18H18O9/c19-16(25-7-11-4-22-11)10-1-2-14(17(20)26-8-12-5-23-12)15(3-10)18(21)27-9-13-6-24-13/h1-3,11-13H,4-9H2
InChIKey
YNOWBNNLZSSIHM-UHFFFAOYSA-N
Compound name
tris(oxiran-2-ylmethyl) benzene-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1621
Patents

378.0951 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10238 132.6
[M+Na]+ 401.08432 142.7
[M+NH4]+ 396.12892 137.6
[M+K]+ 417.05826 146.4
[M-H]- 377.08782 150.2
[M+Na-2H]- 399.06977 143.4
[M]+ 378.09455 141.1
[M]- 378.09565 141.1
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