CID 6394751

Methanediol, 2-furanyl-

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1=COC(=C1)C(O)O

InChI

InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h1-3,5-7H

InChIKey

IZWIQVOZAJLLOH-UHFFFAOYSA-N

Compound name

furan-2-ylmethanediol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 821
Patents: 114.03169 Da
Monoisotopic Mass: -0.4
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]+	115.038966	118.7
[M+Na]+	137.020908	126.5
[M-H]-	113.024414	120.7
[M+NH4]+	132.065513	140.3
[M+K]+	152.994848	126.9
[M+H-H2O]+	97.028950	114.4
[M+HCOO]-	159.029891	141.0
[M+CH3COO]-	173.045541	160.9
[M+Na-2H]-	135.006356	125.5
[M]+	114.03114142	118.3
[M]-	114.03223858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe