CID 97421

Einecs 247-461-6

Structural Information

Molecular Formula
C8H8O9
SMILES
C1(C(C(OC1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKey
UFOIOXZLTXNHQH-UHFFFAOYSA-N
Compound name
oxolane-2,3,4,5-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

7903
Patents

248.01683 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02411 144.3
[M+Na]+ 271.00605 149.9
[M-H]- 247.00955 143.4
[M+NH4]+ 266.05065 158.4
[M+K]+ 286.97999 151.0
[M+H-H2O]+ 231.01409 140.0
[M+HCOO]- 293.01503 158.5
[M+CH3COO]- 307.03068 183.9
[M+Na-2H]- 268.99150 142.2
[M]+ 248.01628 143.7
[M]- 248.01738 143.7
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