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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 125.6
[M+Na]+ 167.03147 132.8
[M-H]- 143.03497 129.4
[M+NH4]+ 162.07607 143.7
[M+K]+ 183.00541 134.9
[M+H-H2O]+ 127.03951 120.6
[M+HCOO]- 189.04045 145.1
[M+CH3COO]- 203.05610 169.8
[M+Na-2H]- 165.01692 133.1
[M]+ 144.04170 125.9
[M]- 144.04280 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe