CID 239163

Tricarballylic anhydride

Structural Information

Molecular Formula
C6H6O5
SMILES
C1C(C(=O)OC1=O)CC(=O)O
InChI
InChI=1S/C6H6O5/c7-4(8)1-3-2-5(9)11-6(3)10/h3H,1-2H2,(H,7,8)
InChIKey
LYANEXCVXFZQFF-UHFFFAOYSA-N
Compound name
2-(2,5-dioxooxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

706
Patents

158.02153 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 126.2
[M+Na]+ 181.01075 134.5
[M-H]- 157.01425 129.5
[M+NH4]+ 176.05535 146.8
[M+K]+ 196.98469 135.1
[M+H-H2O]+ 141.01879 122.1
[M+HCOO]- 203.01973 147.8
[M+CH3COO]- 217.03538 171.4
[M+Na-2H]- 178.99620 130.1
[M]+ 158.02098 126.9
[M]- 158.02208 126.9
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

No patent data available for this compound.