CID 4169160

4-hydroxy-2-cyclopentenone

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1C(C=CC1=O)O

InChI

InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2

InChIKey

DHNDDRBMUVFQIZ-UHFFFAOYSA-N

Compound name

4-hydroxycyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 846
Patents: 98.03678 Da
Monoisotopic Mass: -0.6
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]+	99.044056	114.9
[M+Na]+	121.02600	123.7
[M-H]-	97.029504	117.7
[M+NH4]+	116.07060	139.4
[M+K]+	136.99994	122.7
[M+H-H2O]+	81.034040	110.8
[M+HCOO]-	143.03498	139.2
[M+CH3COO]-	157.05063	161.2
[M+Na-2H]-	119.01145	120.9
[M]+	98.036231	113.3
[M]-	98.037329	113.3

Literature stripe

literature stripe

Patent stripe

patents stripe