CID 91647640

2-(4-hydroxyoxan-4-yl)furan-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

C1COCCC1(C2=C(C=CO2)C(=O)O)O

InChI

InChI=1S/C10H12O5/c11-9(12)7-1-4-15-8(7)10(13)2-5-14-6-3-10/h1,4,13H,2-3,5-6H2,(H,11,12)

InChIKey

GVFRNXXKJPMONK-UHFFFAOYSA-N

Compound name

2-(4-hydroxyoxan-4-yl)furan-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.06847 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]+	213.075746	142.9
[M+Na]+	235.057688	148.9
[M-H]-	211.061194	148.1
[M+NH4]+	230.102293	160.8
[M+K]+	251.031628	149.7
[M+H-H2O]+	195.065730	138.3
[M+HCOO]-	257.066671	160.4
[M+CH3COO]-	271.082321	177.4
[M+Na-2H]-	233.043136	148.2
[M]+	212.06792142	141.3
[M]-	212.06901858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.