CID 65726

Reductic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
C1CC(=O)C(=C1O)O
InChI
InChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h6,8H,1-2H2
InChIKey
CRTGSPPMTACQBL-UHFFFAOYSA-N
Compound name
2,3-dihydroxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2123
Patents

114.03169 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 117.9
[M+Na]+ 137.02091 127.1
[M-H]- 113.02441 119.6
[M+NH4]+ 132.06551 141.3
[M+K]+ 152.99485 125.6
[M+H-H2O]+ 97.028950 114.1
[M+HCOO]- 159.02989 140.9
[M+CH3COO]- 173.04554 161.9
[M+Na-2H]- 135.00636 122.8
[M]+ 114.03114 116.2
[M]- 114.03224 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.