CID 32013

Furacrinic acid

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CCC(=C)C(=O)C1=CC2=C(C=C1C)OC(=C2)C(=O)O

InChI

InChI=1S/C15H14O4/c1-4-8(2)14(16)11-6-10-7-13(15(17)18)19-12(10)5-9(11)3/h5-7H,2,4H2,1,3H3,(H,17,18)

InChIKey

DLTWLXUYSLIIQN-UHFFFAOYSA-N

Compound name

6-methyl-5-(2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 258.0892 Da
Monoisotopic Mass: 3.6
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]+	259.096476	156.3
[M+Na]+	281.078418	165.6
[M-H]-	257.081924	161.1
[M+NH4]+	276.123023	174.3
[M+K]+	297.052358	163.5
[M+H-H2O]+	241.086460	151.2
[M+HCOO]-	303.087401	176.9
[M+CH3COO]-	317.103051	196.0
[M+Na-2H]-	279.063866	157.9
[M]+	258.08865142	161.0
[M]-	258.08974858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe