CID 20449

3-furanmethanol

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1=COC=C1CO

InChI

InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2

InChIKey

STJIISDMSMJQQK-UHFFFAOYSA-N

Compound name

furan-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2118
Patents: 98.03678 Da
Monoisotopic Mass: 0.3
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]+	99.044056	114.2
[M+Na]+	121.025998	122.8
[M-H]-	97.029504	117.5
[M+NH4]+	116.070603	137.3
[M+K]+	136.999938	123.2
[M+H-H2O]+	81.034040	109.9
[M+HCOO]-	143.034981	138.8
[M+CH3COO]-	157.050631	160.6
[M+Na-2H]-	119.011446	122.9
[M]+	98.03623142	114.9
[M]-	98.03732858	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe