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]+ 231.049926 145.4
[M+Na]+ 253.031868 153.2
[M-H]- 229.035374 149.6
[M+NH4]+ 248.076473 162.5
[M+K]+ 269.005808 155.4
[M+H-H2O]+ 213.039910 142.8
[M+HCOO]- 275.040851 162.1
[M+CH3COO]- 289.056501 184.5
[M+Na-2H]- 251.017316 148.1
[M]+ 230.04210142 149.5
[M]- 230.04319858 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.