CID 9815264

(+)-o-acetyl-d-malic anhydride

Structural Information

Molecular Formula
C6H6O5
SMILES
CC(=O)O[C@@H]1CC(=O)OC1=O
InChI
InChI=1S/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m1/s1
InChIKey
SSWJHSASZZAIAU-SCSAIBSYSA-N
Compound name
[(3R)-2,5-dioxooxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

158.02153 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 125.3
[M+Na]+ 181.01075 134.1
[M-H]- 157.01425 130.0
[M+NH4]+ 176.05535 146.7
[M+K]+ 196.98469 135.6
[M+H-H2O]+ 141.01879 121.0
[M+HCOO]- 203.01973 148.4
[M+CH3COO]- 217.03538 173.2
[M+Na-2H]- 178.99620 129.8
[M]+ 158.02098 127.8
[M]- 158.02208 127.8
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.