CID 93689

Tetrasodium ditartronate

Structural Information

Molecular Formula
C6H6O9
SMILES
C(C(=O)O)(C(=O)O)OC(C(=O)O)C(=O)O
InChI
InChI=1S/C6H6O9/c7-3(8)1(4(9)10)15-2(5(11)12)6(13)14/h1-2H,(H,7,8)(H,9,10)(H,11,12)(H,13,14)
InChIKey
KDBDEFYTFKYDHF-UHFFFAOYSA-N
Compound name
2-(dicarboxymethoxy)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

222.00117 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00845 137.6
[M+Na]+ 244.99039 142.1
[M-H]- 220.99389 132.3
[M+NH4]+ 240.03499 151.8
[M+K]+ 260.96433 143.9
[M+H-H2O]+ 204.99843 132.8
[M+HCOO]- 266.99937 152.2
[M+CH3COO]- 281.01502 179.0
[M+Na-2H]- 242.97584 135.8
[M]+ 222.00062 137.7
[M]- 222.00172 137.7
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