CID 4657579

61564-98-5

Structural Information

Molecular Formula
C5H6O4
SMILES
C1COC(=CO1)C(=O)O
InChI
InChI=1S/C5H6O4/c6-5(7)4-3-8-1-2-9-4/h3H,1-2H2,(H,6,7)
InChIKey
ZZHGJPGNSHXDJV-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-dioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

130.02661 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.033886 121.3
[M+Na]+ 153.015828 127.9
[M-H]- 129.019334 124.8
[M+NH4]+ 148.060433 139.6
[M+K]+ 168.989768 130.3
[M+H-H2O]+ 113.023870 116.2
[M+HCOO]- 175.024811 141.1
[M+CH3COO]- 189.040461 165.6
[M+Na-2H]- 151.001276 130.0
[M]+ 130.02606142 120.7
[M]- 130.02715858 120.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe