CID 59509474

1093214-59-5

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1(C2=C(CO1)C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C11H12O3/c1-11(2)9-4-3-7(10(12)13)5-8(9)6-14-11/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

OOXWVOPFXKNUNZ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.07864 Da
Monoisotopic Mass: 1.3
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]+	193.08592	139.3
[M+Na]+	215.06786	150.9
[M+NH4]+	210.11246	149.1
[M+K]+	231.04180	146.0
[M-H]-	191.07136	141.6
[M+Na-2H]-	213.05331	144.5
[M]+	192.07809	141.7
[M]-	192.07919	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe