CID 322304

2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)

InChIKey

DEBZQUFVQZPPLC-UHFFFAOYSA-N

Compound name

2H-chromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 642
Patents: 176.04735 Da
Monoisotopic Mass: 1.5
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]+	177.054626	132.4
[M+Na]+	199.036568	140.4
[M-H]-	175.040074	136.5
[M+NH4]+	194.081173	151.6
[M+K]+	215.010508	139.3
[M+H-H2O]+	159.044610	126.9
[M+HCOO]-	221.045551	152.6
[M+CH3COO]-	235.061201	176.8
[M+Na-2H]-	197.022016	141.0
[M]+	176.04680142	132.2
[M]-	176.04789858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe