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: 2131
Patents: 114.03169 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	115.038966	117.9
[M+Na]+	137.020908	127.1
[M-H]-	113.024414	119.6
[M+NH4]+	132.065513	141.3
[M+K]+	152.994848	125.6
[M+H-H2O]+	97.028950	114.1
[M+HCOO]-	159.029891	140.9
[M+CH3COO]-	173.045541	161.9
[M+Na-2H]-	135.006356	122.8
[M]+	114.03114142	116.2
[M]-	114.03223858	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe