CID 54676473

3-cyclohexyl-4-hydroxy-2(5h)furanone

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCC(CC1)C2=C(COC2=O)O

InChI

InChI=1S/C10H14O3/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h7,11H,1-6H2

InChIKey

UOHNVACTBABRQJ-UHFFFAOYSA-N

Compound name

4-cyclohexyl-3-hydroxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.0943 Da
Monoisotopic Mass: 2.1
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]+	183.101576	138.1
[M+Na]+	205.083518	144.0
[M-H]-	181.087024	143.7
[M+NH4]+	200.128123	157.7
[M+K]+	221.057458	143.0
[M+H-H2O]+	165.091560	132.8
[M+HCOO]-	227.092501	157.3
[M+CH3COO]-	241.108151	176.3
[M+Na-2H]-	203.068966	141.1
[M]+	182.09375142	134.0
[M]-	182.09484858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe