CID 103579

51994-16-2

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCCC(C1(C(=O)C(=C(O1)C)O)C)O

InChI

InChI=1S/C10H16O4/c1-4-5-7(11)10(3)9(13)8(12)6(2)14-10/h7,11-12H,4-5H2,1-3H3

InChIKey

NOYLNCIBDODDPI-UHFFFAOYSA-N

Compound name

4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 200.10486 Da
Monoisotopic Mass: 1.7
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]+	201.112136	141.3
[M+Na]+	223.094078	149.9
[M-H]-	199.097584	143.6
[M+NH4]+	218.138683	162.3
[M+K]+	239.068018	149.3
[M+H-H2O]+	183.102120	138.1
[M+HCOO]-	245.103061	160.9
[M+CH3COO]-	259.118711	180.9
[M+Na-2H]-	221.079526	144.3
[M]+	200.10431142	143.7
[M]-	200.10540858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe