CID 4770815

6-hydroxychromene-3-carboxaldehyde

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1C(=CC2=C(O1)C=CC(=C2)O)C=O

InChI

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

InChIKey

JSPGOHYLKVWWKI-UHFFFAOYSA-N

Compound name

6-hydroxy-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 176.04735 Da
Monoisotopic Mass: 1.1
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]+	177.05463	131.8
[M+Na]+	199.03657	141.1
[M-H]-	175.04007	136.3
[M+NH4]+	194.08117	151.4
[M+K]+	215.01051	139.5
[M+H-H2O]+	159.04461	126.4
[M+HCOO]-	221.04555	153.1
[M+CH3COO]-	235.06120	177.1
[M+Na-2H]-	197.02202	141.0
[M]+	176.04680	132.7
[M]-	176.04790	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe