CID 15767557

143809-24-9

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC1=C(C=CC2=C1OCCO2)C=O

InChI

InChI=1S/C10H10O3/c1-7-8(6-11)2-3-9-10(7)13-5-4-12-9/h2-3,6H,4-5H2,1H3

InChIKey

HJYKWJVSSZPKIK-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 178.06299 Da
Monoisotopic Mass: 1.5
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]+	179.070266	133.4
[M+Na]+	201.052208	142.1
[M-H]-	177.055714	139.5
[M+NH4]+	196.096813	152.3
[M+K]+	217.026148	142.6
[M+H-H2O]+	161.060250	127.8
[M+HCOO]-	223.061191	153.7
[M+CH3COO]-	237.076841	180.2
[M+Na-2H]-	199.037656	142.9
[M]+	178.06244142	135.3
[M]-	178.06353858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe