CID 11126659

67310-57-0

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

C1=C(OC(=C1)/C=C/C(=O)O)CO

InChI

InChI=1S/C8H8O4/c9-5-7-2-1-6(12-7)3-4-8(10)11/h1-4,9H,5H2,(H,10,11)/b4-3+

InChIKey

FAWJSEHMOMAQHG-ONEGZZNKSA-N

Compound name

(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 168.04225 Da
Monoisotopic Mass: 0.1
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]+	169.04953	134.1
[M+Na]+	191.03147	143.7
[M+NH4]+	186.07607	140.3
[M+K]+	207.00541	142.0
[M-H]-	167.03497	134.1
[M+Na-2H]-	189.01692	136.8
[M]+	168.04170	135.0
[M]-	168.04280	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe