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

138
Patents

232.02191 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.029186 150.5
[M+Na]+ 255.011128 154.3
[M-H]- 231.014634 148.6
[M+NH4]+ 250.055733 161.6
[M+K]+ 270.985068 157.7
[M+H-H2O]+ 215.019170 143.0
[M+HCOO]- 277.020111 163.6
[M+CH3COO]- 291.035761 182.8
[M+Na-2H]- 252.996576 150.9
[M]+ 232.02136142 157.8
[M]- 232.02245858 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