CID 6710626

4720-68-7

Structural Information

Molecular Formula

C₈H₆O₄

SMILES

C1OC2=C(O1)C=C(C(=C2)C=O)O

InChI

InChI=1S/C8H6O4/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-3,10H,4H2

InChIKey

SXMMQAVECVAGBF-UHFFFAOYSA-N

Compound name

6-hydroxy-1,3-benzodioxole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 166.02661 Da
Monoisotopic Mass: 1.4
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]+	167.03389	128.8
[M+Na]+	189.01583	141.1
[M+NH4]+	184.06043	137.0
[M+K]+	204.98977	138.7
[M-H]-	165.01933	132.3
[M+Na-2H]-	187.00128	132.6
[M]+	166.02606	131.4
[M]-	166.02716	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe