CID 15560

1,2,3,4-butanetetracarboxylic acid

Structural Information

Molecular Formula
C8H10O8
SMILES
C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKey
GGAUUQHSCNMCAU-UHFFFAOYSA-N
Compound name
butane-1,2,3,4-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

26539
Patents

234.03757 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.044846 145.2
[M+Na]+ 257.026788 149.1
[M-H]- 233.030294 139.6
[M+NH4]+ 252.071393 159.0
[M+K]+ 273.000728 149.8
[M+H-H2O]+ 217.034830 140.3
[M+HCOO]- 279.035771 159.0
[M+CH3COO]- 293.051421 182.5
[M+Na-2H]- 255.012236 142.2
[M]+ 234.03702142 144.6
[M]- 234.03811858 144.6
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