CID 798765

24098-77-9

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)O

InChI

InChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)

InChIKey

ZKWNOAWLDSIWEE-UHFFFAOYSA-N

Compound name

3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 2
Patents: 246.0892 Da
Monoisotopic Mass: 2.4
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]+	247.09648	154.2
[M+Na]+	269.07842	166.5
[M+NH4]+	264.12302	161.4
[M+K]+	285.05236	163.0
[M-H]-	245.08192	157.8
[M+Na-2H]-	267.06387	160.2
[M]+	246.08865	156.9
[M]-	246.08975	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe