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: 116
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]+	115.03897	119.0
[M+Na]+	137.02091	129.2
[M+NH4]+	132.06551	126.8
[M+K]+	152.99485	127.6
[M-H]-	113.02441	120.0
[M+Na-2H]-	135.00636	123.4
[M]+	114.03114	120.4
[M]-	114.03224	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe