CID 14925

Tricarballylic acid

Structural Information

Molecular Formula
C6H8O6
SMILES
C(C(CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N
Compound name
propane-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

85
References

25724
Patents

176.03209 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 135.3
[M+Na]+ 199.02131 141.1
[M+NH4]+ 194.06591 138.7
[M+K]+ 214.99525 141.3
[M-H]- 175.02481 129.5
[M+Na-2H]- 197.00676 133.9
[M]+ 176.03154 133.6
[M]- 176.03264 133.6
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