CID 84049177

1782272-74-5

Structural Information

Molecular Formula
C5H4O5
SMILES
C1(C2C1OC(=O)O2)C(=O)O
InChI
InChI=1S/C5H4O5/c6-4(7)1-2-3(1)10-5(8)9-2/h1-3H,(H,6,7)
InChIKey
SQTWQYUHQOQHNY-UHFFFAOYSA-N
Compound name
3-oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.00587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01315 123.1
[M+Na]+ 166.99509 134.7
[M-H]- 142.99859 129.3
[M+NH4]+ 162.03969 139.4
[M+K]+ 182.96903 134.7
[M+H-H2O]+ 127.00313 119.0
[M+HCOO]- 189.00407 143.0
[M+CH3COO]- 203.01972 173.4
[M+Na-2H]- 164.98054 130.4
[M]+ 144.00532 128.9
[M]- 144.00642 128.9
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.