CID 12733589

36802-01-4

Structural Information

Molecular Formula

C₇H₈O₄

SMILES

COC(=O)C1=CC=C(O1)CO

InChI

InChI=1S/C7H8O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3,8H,4H2,1H3

InChIKey

GCVVHNKBMLQFCY-UHFFFAOYSA-N

Compound name

methyl 5-(hydroxymethyl)furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 156.04225 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]+	157.04953	129.5
[M+Na]+	179.03147	139.9
[M+NH4]+	174.07607	136.6
[M+K]+	195.00541	138.2
[M-H]-	155.03497	130.4
[M+Na-2H]-	177.01692	133.2
[M]+	156.04170	130.9
[M]-	156.04280	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe