CID 14213968

6-formylumbelliferone

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C1=CC(=O)OC2=CC(=C(C=C21)C=O)O

InChI

InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H

InChIKey

YYVVBACXPUHKFH-UHFFFAOYSA-N

Compound name

7-hydroxy-2-oxochromene-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 190.02661 Da
Monoisotopic Mass: 1.6
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]+	191.03389	133.9
[M+Na]+	213.01583	148.9
[M+NH4]+	208.06043	142.1
[M+K]+	228.98977	143.2
[M-H]-	189.01933	137.0
[M+Na-2H]-	211.00128	140.3
[M]+	190.02606	136.9
[M]-	190.02716	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe