CID 188669

20426-80-6

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1COC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C10H10O3/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H,11,12)

InChIKey

RGWHTTALQBHDGZ-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 273
Patents: 178.06299 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]+	179.07027	133.9
[M+Na]+	201.05221	140.8
[M-H]-	177.05571	137.6
[M+NH4]+	196.09681	152.9
[M+K]+	217.02615	139.9
[M+H-H2O]+	161.06025	128.4
[M+HCOO]-	223.06119	152.7
[M+CH3COO]-	237.07684	177.1
[M+Na-2H]-	199.03766	141.6
[M]+	178.06244	132.3
[M]-	178.06354	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe