CID 21185192

436085-66-4

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1CCC2=C(C1)C(=CO2)C(=O)O

InChI

InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)

InChIKey

QQPMDRGNNFKVEL-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.070266	132.0
[M+Na]+	189.052208	139.2
[M-H]-	165.055714	135.7
[M+NH4]+	184.096813	153.3
[M+K]+	205.026148	138.5
[M+H-H2O]+	149.060250	127.4
[M+HCOO]-	211.061191	151.8
[M+CH3COO]-	225.076841	174.0
[M+Na-2H]-	187.037656	137.6
[M]+	166.06244142	130.7
[M]-	166.06353858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe