CID 6504216

3,4-dihydro-2h-chromene-6-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC2=C(C=CC(=C2)C(=O)O)OC1

InChI

InChI=1S/C10H10O3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,11,12)

InChIKey

IFKANGOXGBPILW-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromene-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 440
Patents: 178.06299 Da
Monoisotopic Mass: 1.8
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

No literature data available for this compound.

Patent stripe

patents stripe