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

27509
Patents

234.03757 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04485 145.2
[M+Na]+ 257.02679 149.1
[M-H]- 233.03029 139.6
[M+NH4]+ 252.07139 159.0
[M+K]+ 273.00073 149.8
[M+H-H2O]+ 217.03483 140.3
[M+HCOO]- 279.03577 159.0
[M+CH3COO]- 293.05142 182.5
[M+Na-2H]- 255.01224 142.2
[M]+ 234.03702 144.6
[M]- 234.03812 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