CID 634912

Tricyclo(8.2.2.2(4,7))hexadeca-hexaene-tetracarboxylic acid tetramethyl ester

Structural Information

Molecular Formula
C24H24O8
SMILES
COC(=O)C1=C2CCC3=C(C(=C(CCC(=C1C(=O)OC)C=C2)C=C3)C(=O)OC)C(=O)OC
InChI
InChI=1S/C24H24O8/c1-29-21(25)17-13-5-6-14(18(17)22(26)30-2)11-12-16-8-7-15(10-9-13)19(23(27)31-3)20(16)24(28)32-4/h5-8H,9-12H2,1-4H3
InChIKey
ZUYBKGPVJPHPTM-UHFFFAOYSA-N
Compound name
tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14713 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15441 207.0
[M+Na]+ 463.13635 204.2
[M-H]- 439.13985 188.1
[M+NH4]+ 458.18095 213.0
[M+K]+ 479.11029 208.9
[M+H-H2O]+ 423.14439 210.7
[M+HCOO]- 485.14533 205.7
[M+CH3COO]- 499.16098 233.1
[M+Na-2H]- 461.12180 209.7
[M]+ 440.14658 212.3
[M]- 440.14768 212.3
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

No patent data available for this compound.