CID 15376174

3-methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

CC1=C(OCCO1)C(=O)O

InChI

InChI=1S/C6H8O4/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8)

InChIKey

WZTMMYVTLOVLJI-UHFFFAOYSA-N

Compound name

6-methyl-2,3-dihydro-1,4-dioxine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 144.04225 Da
Monoisotopic Mass: 0.3
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]+	145.04953	126.0
[M+Na]+	167.03147	137.1
[M+NH4]+	162.07607	133.4
[M+K]+	183.00541	134.1
[M-H]-	143.03497	128.8
[M+Na-2H]-	165.01692	129.7
[M]+	144.04170	128.2
[M]-	144.04280	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe