CID 592363

26326-05-6

Structural Information

Molecular Formula
C7H8O6
SMILES
C=C(C(CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h4H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
WOZHZOLFFPSEAM-UHFFFAOYSA-N
Compound name
but-3-ene-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1010
Patents

188.03209 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03937 138.6
[M+Na]+ 211.02131 143.9
[M+NH4]+ 206.06591 141.5
[M+K]+ 226.99525 144.7
[M-H]- 187.02481 132.3
[M+Na-2H]- 209.00676 136.5
[M]+ 188.03154 136.6
[M]- 188.03264 136.6
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