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
(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

128.04735 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 122.5
[M+Na]+ 151.03657 132.7
[M-H]- 127.04007 127.6
[M+NH4]+ 146.08117 140.7
[M+K]+ 167.01051 131.5
[M+H-H2O]+ 111.04461 118.1
[M+HCOO]- 173.04555 142.8
[M+CH3COO]- 187.06120 171.5
[M+Na-2H]- 149.02202 128.9
[M]+ 128.04680 125.3
[M]- 128.04790 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