CID 266034

1,2,3,4-cyclobutanetetracarboxylic acid

Structural Information

Molecular Formula
C8H8O8
SMILES
C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O8/c9-5(10)1-2(6(11)12)4(8(15)16)3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKey
CURBACXRQKTCKZ-UHFFFAOYSA-N
Compound name
cyclobutane-1,2,3,4-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12830
Patents

232.02191 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02919 146.4
[M+Na]+ 255.01113 149.9
[M-H]- 231.01463 144.5
[M+NH4]+ 250.05573 154.0
[M+K]+ 270.98507 153.3
[M+H-H2O]+ 215.01917 135.6
[M+HCOO]- 277.02011 159.6
[M+CH3COO]- 291.03576 186.2
[M+Na-2H]- 252.99658 142.8
[M]+ 232.02136 153.4
[M]- 232.02246 153.4
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