CID 96732483

1516949-48-6

Structural Information

Molecular Formula
C6H8O3
SMILES
C1[C@@H]2[C@]1(COC2)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)/t4-,6-/m0/s1
InChIKey
KXQPXWJVQITPAZ-NJGYIYPDSA-N
Compound name
(1R,5R)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

128.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 127.8
[M+Na]+ 151.03657 138.7
[M+NH4]+ 146.08117 138.1
[M+K]+ 167.01051 136.1
[M-H]- 127.04007 136.0
[M+Na-2H]- 149.02202 134.2
[M]+ 128.04680 132.7
[M]- 128.04790 132.7
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