CID 10796707

3-hydroxycyclopentanone

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

C1CC(=O)CC1O

InChI

InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2

InChIKey

GULNLSGTYCQLLM-UHFFFAOYSA-N

Compound name

3-hydroxycyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 392
Patents: 100.05243 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]+	101.05971	117.2
[M+Na]+	123.04165	124.9
[M-H]-	99.045154	119.6
[M+NH4]+	118.08625	141.5
[M+K]+	139.01559	124.1
[M+H-H2O]+	83.049690	113.1
[M+HCOO]-	145.05063	140.0
[M+CH3COO]-	159.06628	161.6
[M+Na-2H]-	121.02710	122.2
[M]+	100.05188	114.1
[M]-	100.05298	114.1

Literature stripe

literature stripe

Patent stripe

patents stripe