CID 2795033

29668-43-7

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

C1COC2=C(C=CC=C2O1)C=O

InChI

InChI=1S/C9H8O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,6H,4-5H2

InChIKey

BJXUCBAQZJITKD-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 363
Patents: 164.04735 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]+	165.05463	129.9
[M+Na]+	187.03657	143.8
[M+NH4]+	182.08117	139.2
[M+K]+	203.01051	137.9
[M-H]-	163.04007	135.1
[M+Na-2H]-	185.02202	135.9
[M]+	164.04680	133.4
[M]-	164.04790	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe