CID 520911

3857-25-8

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

CC1=CC=C(O1)CO

InChI

InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

InChIKey

VOZFDEJGHQWZHU-UHFFFAOYSA-N

Compound name

(5-methylfuran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 858
Patents: 112.05243 Da
Monoisotopic Mass: 0.5
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]+	113.059706	118.4
[M+Na]+	135.041648	127.5
[M-H]-	111.045154	121.9
[M+NH4]+	130.086253	141.3
[M+K]+	151.015588	127.6
[M+H-H2O]+	95.049690	114.2
[M+HCOO]-	157.050631	142.7
[M+CH3COO]-	171.066281	164.7
[M+Na-2H]-	133.027096	125.9
[M]+	112.05188142	119.9
[M]-	112.05297858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe