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

27
Patents

144.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 125.6
[M+Na]+ 167.031468 132.8
[M-H]- 143.034974 129.4
[M+NH4]+ 162.076073 143.7
[M+K]+ 183.005408 134.9
[M+H-H2O]+ 127.039510 120.6
[M+HCOO]- 189.040451 145.1
[M+CH3COO]- 203.056101 169.8
[M+Na-2H]- 165.016916 133.1
[M]+ 144.04170142 125.9
[M]- 144.04279858 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