CID 2394036

730951-42-5

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)O

InChI

InChI=1S/C14H16O3/c1-8(2)11-6-12-10(5-14(15)16)7-17-13(12)4-9(11)3/h4,6-8H,5H2,1-3H3,(H,15,16)

InChIKey

OSRZHJPDAPUGSU-UHFFFAOYSA-N

Compound name

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 232.10994 Da
Monoisotopic Mass: 3.3
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]+	233.117216	151.2
[M+Na]+	255.099158	160.9
[M-H]-	231.102664	156.1
[M+NH4]+	250.143763	170.7
[M+K]+	271.073098	159.0
[M+H-H2O]+	215.107200	146.3
[M+HCOO]-	277.108141	172.6
[M+CH3COO]-	291.123791	191.5
[M+Na-2H]-	253.084606	154.4
[M]+	232.10939142	156.2
[M]-	232.11048858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.