CID 546874

Croconic acid

Structural Information

Molecular Formula
C5H2O5
SMILES
C1(=C(C(=O)C(=O)C1=O)O)O
InChI
InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H
InChIKey
RBSLJAJQOVYTRQ-UHFFFAOYSA-N
Compound name
4,5-dihydroxycyclopent-4-ene-1,2,3-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1964
Patents

141.99022 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.99750 117.1
[M+Na]+ 164.97944 129.4
[M-H]- 140.98294 119.9
[M+NH4]+ 160.02404 139.7
[M+K]+ 180.95338 127.6
[M+H-H2O]+ 124.98748 113.5
[M+HCOO]- 186.98842 142.2
[M+CH3COO]- 201.00407 166.7
[M+Na-2H]- 162.96489 121.8
[M]+ 141.98967 119.1
[M]- 141.99077 119.1
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