CID 3519305

Cyclobutane-1,1,3,3-tetracarboxylic acid

Structural Information

Molecular Formula
C8H8O8
SMILES
C1C(CC1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O8/c9-3(10)7(4(11)12)1-8(2-7,5(13)14)6(15)16/h1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKey
ICDSPCREXLHCQV-UHFFFAOYSA-N
Compound name
cyclobutane-1,1,3,3-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

232.02191 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02919 150.5
[M+Na]+ 255.01113 154.3
[M-H]- 231.01463 148.6
[M+NH4]+ 250.05573 161.6
[M+K]+ 270.98507 157.7
[M+H-H2O]+ 215.01917 143.0
[M+HCOO]- 277.02011 163.6
[M+CH3COO]- 291.03576 182.8
[M+Na-2H]- 252.99658 150.9
[M]+ 232.02136 157.8
[M]- 232.02246 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe