CID 53080

Ascorbic acid methylglyoxal acetal

Structural Information

Molecular Formula
C9H10O7
SMILES
CC(=O)C1OC2=C(O1)C(=O)OC2C(CO)O
InChI
InChI=1S/C9H10O7/c1-3(11)9-15-6-5(4(12)2-10)14-8(13)7(6)16-9/h4-5,9-10,12H,2H2,1H3
InChIKey
NIULXBIOLSVHSZ-UHFFFAOYSA-N
Compound name
2-acetyl-6-(1,2-dihydroxyethyl)-6H-furo[3,4-d][1,3]dioxol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04265 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04993 145.4
[M+Na]+ 253.03187 153.2
[M-H]- 229.03537 149.6
[M+NH4]+ 248.07647 162.5
[M+K]+ 269.00581 155.4
[M+H-H2O]+ 213.03991 142.8
[M+HCOO]- 275.04085 162.1
[M+CH3COO]- 289.05650 184.5
[M+Na-2H]- 251.01732 148.1
[M]+ 230.04210 149.5
[M]- 230.04320 149.5
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

No patent data available for this compound.