CID 4428208

4-hydroxycyclopent-2-en-1-yl acetate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC(=O)OC1CC(C=C1)O

InChI

InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3

InChIKey

IJDYOKVVRXZCFD-UHFFFAOYSA-N

Compound name

(4-hydroxycyclopent-2-en-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 684
Patents: 142.06299 Da
Monoisotopic Mass: 0.1
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]+	143.07027	128.7
[M+Na]+	165.05221	138.2
[M+NH4]+	160.09681	136.3
[M+K]+	181.02615	135.8
[M-H]-	141.05571	128.5
[M+Na-2H]-	163.03766	132.3
[M]+	142.06244	129.6
[M]-	142.06354	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe