CID 392842

Cubane-1,3,5,7-tetracarboxylic acid

Structural Information

Molecular Formula
C12H8O8
SMILES
C12C3(C4C1(C5C2(C3C45C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8O8/c13-5(14)9-1-10(6(15)16)2(9)12(8(19)20)3(9)11(1,4(10)12)7(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKey
QGYMAFGVNUKBCO-UHFFFAOYSA-N
Compound name
cubane-1,3,5,7-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.0219 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02918 243.7
[M+Na]+ 303.01112 241.2
[M-H]- 279.01462 245.3
[M+NH4]+ 298.05572 237.7
[M+K]+ 318.98506 245.3
[M+H-H2O]+ 263.01916 232.2
[M+HCOO]- 325.02010 241.0
[M+CH3COO]- 339.03575 262.3
[M+Na-2H]- 300.99657 234.0
[M]+ 280.02135 262.0
[M]- 280.02245 262.0
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