CID 69455

Tetramethyl pyromellitate

Structural Information

Molecular Formula
C14H14O8
SMILES
COC(=O)C1=CC(=C(C=C1C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3
InChIKey
QVEIFJBUBJUUMB-UHFFFAOYSA-N
Compound name
tetramethyl benzene-1,2,4,5-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

256
Patents

310.06888 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07616 160.9
[M+Na]+ 333.05810 168.5
[M-H]- 309.06160 165.1
[M+NH4]+ 328.10270 175.7
[M+K]+ 349.03204 170.1
[M+H-H2O]+ 293.06614 154.4
[M+HCOO]- 355.06708 182.4
[M+CH3COO]- 369.08273 204.4
[M+Na-2H]- 331.04355 160.5
[M]+ 310.06833 169.9
[M]- 310.06943 169.9
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