CID 84477

3,4-furandimethanol

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C1=C(C(=CO1)CO)CO

InChI

InChI=1S/C6H8O3/c7-1-5-3-9-4-6(5)2-8/h3-4,7-8H,1-2H2

InChIKey

RNKXUVJWMOMTHV-UHFFFAOYSA-N

Compound name

[4-(hydroxymethyl)furan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 172
Patents: 128.04735 Da
Monoisotopic Mass: -0.8
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]+	129.054626	122.2
[M+Na]+	151.036568	130.8
[M-H]-	127.040074	124.2
[M+NH4]+	146.081173	143.6
[M+K]+	167.010508	130.4
[M+H-H2O]+	111.044610	117.9
[M+HCOO]-	173.045551	145.2
[M+CH3COO]-	187.061201	164.2
[M+Na-2H]-	149.022016	129.1
[M]+	128.04680142	123.2
[M]-	128.04789858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe