CID 12204423

55780-88-6

Structural Information

Molecular Formula
C6H8O3
SMILES
C1[C@@H]2[C@@H](C2C(=O)O)CO1
InChI
InChI=1S/C6H8O3/c7-6(8)5-3-1-9-2-4(3)5/h3-5H,1-2H2,(H,7,8)/t3-,4+,5?
InChIKey
JVRUZPDYVLRYQT-NGQZWQHPSA-N
Compound name
(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

128.04735 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 122.5
[M+Na]+ 151.036568 132.7
[M-H]- 127.040074 127.6
[M+NH4]+ 146.081173 140.7
[M+K]+ 167.010508 131.5
[M+H-H2O]+ 111.044610 118.1
[M+HCOO]- 173.045551 142.8
[M+CH3COO]- 187.061201 171.5
[M+Na-2H]- 149.022016 128.9
[M]+ 128.04680142 125.3
[M]- 128.04789858 125.3
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

patents stripe