CID 14412554

2,3-dihydroxy-2,4-cyclopentadien-1-one

Structural Information

Molecular Formula
C5H4O3
SMILES
C1=CC(=O)C(=C1O)O
InChI
InChI=1S/C5H4O3/c6-3-1-2-4(7)5(3)8/h1-2H,(H2,6,7,8)
InChIKey
RUOZZXHSVNXNKB-UHFFFAOYSA-N
Compound name
2,3-dihydroxycyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

112.016045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02332 115.8
[M+Na]+ 135.00526 126.0
[M-H]- 111.00877 117.9
[M+NH4]+ 130.04987 139.4
[M+K]+ 150.97920 124.4
[M+H-H2O]+ 95.013305 112.0
[M+HCOO]- 157.01425 140.2
[M+CH3COO]- 171.02990 161.5
[M+Na-2H]- 132.99071 121.7
[M]+ 112.01550 115.6
[M]- 112.01659 115.6
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